ontology/chebi_sgn.obo

   1 format-version: 1.2
   2 data-version: 148
   3 date: 01:02:2017 03:43
   4 saved-by: chebi
   5 default-namespace: chebi_ontology
   6 remark: ChEBI subsumes and replaces the Chemical Ontology first
   7 synonymtypedef: IUPAC_NAME "IUPAC NAME"
   8 synonymtypedef: FORMULA "FORMULA"
   9 synonymtypedef: SMILES "SMILES"
  10 synonymtypedef: InChI "InChI"
  11 synonymtypedef: InChIKey "InChIKey"
  12 synonymtypedef: BRAND_NAME "BRAND NAME"
  13 synonymtypedef: INN "INN"
  14 remark: developed by Michael Ashburner & Pankaj Jaiswal.
  15 remark: Author: ChEBI curation team
  16 remark: ChEBI Release version 148
  17 remark: For any queries contact chebi-help@ebi.ac.uk
  18 ontology: chebi
  19
  20 [Term]
  21 id: CHEBI:00000
  22 name: chebi_compounds
  23
  24 [Term]
  25 id: CHEBI:24431
  26 name: chemical entity
  27 def: "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances." []
  28 synonym: "grouped_by_chemistry" RELATED [ChEBI:]
  29 synonym: "chemical entity" EXACT [UniProt:]
  30 synonym: "." RELATED FORMULA [ChEBI:]
  31 is_a: CHEBI:00000
  32
  33 [Term]
  34 id: CHEBI:23367
  35 name: molecular entity
  36 def: "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." []
  37 synonym: "entidades moleculares" RELATED [IUPAC:]
  38 synonym: "molekulare Entitaet" RELATED [ChEBI:]
  39 synonym: "entite moleculaire" RELATED [IUPAC:]
  40 synonym: "entidad molecular" RELATED [IUPAC:]
  41 synonym: "molecular entity" EXACT IUPAC_NAME [IUPAC:]
  42 synonym: "molecular entities" RELATED [IUPAC:]
  43 synonym: "." RELATED FORMULA [ChEBI:]
  44 is_a: CHEBI:24431
  45 is_a: CHEBI:00000
  46
  47
  48 [Term]
  49 id: CHEBI:30769
  50 name: citric acid
  51 alt_id: CHEBI:41523
  52 alt_id: CHEBI:23322
  53 alt_id: CHEBI:3727
  54 def: "A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms." []
  55 synonym: "H3cit" RELATED [IUPAC:]
  56 synonym: "Suby G" RELATED [HMDB:]
  57 synonym: "2-hydroxypropane-1,2,3-tricarboxylic acid" EXACT IUPAC_NAME [IUPAC:]
  58 synonym: "Anhydrous citric acid" RELATED [HMDB:]
  59 synonym: "Uro-trainer" RELATED [HMDB:]
  60 synonym: "Citrate" RELATED [HMDB:]
  61 synonym: "3-Carboxy-3-hydroxypentane-1,5-dioate" RELATED [HMDB:]
  62 synonym: "Anhydrous citrate" RELATED [HMDB:]
  63 synonym: "E 330" RELATED [HMDB:]
  64 synonym: "citric acid" EXACT [UniProt:]
  65 synonym: "2-hydroxypropane-1,2,3-tricarboxylic acid" RELATED [ChEBI:]
  66 synonym: "Citro" RELATED [HMDB:]
  67 synonym: "2-Hydroxy-1,2,3-propanetricarboxylate" RELATED [HMDB:]
  68 synonym: "beta-Hydroxytricarballylate" RELATED [HMDB:]
  69 synonym: "Kyselina citronova" RELATED [HMDB:]
  70 synonym: "Aciletten" RELATED [HMDB:]
  71 synonym: "beta-Hydroxytricarballylic acid" RELATED [HMDB:]
  72 synonym: "Chemfill" RELATED [HMDB:]
  73 synonym: "E330" RELATED [ChEBI:]
  74 synonym: "Citretten" RELATED [HMDB:]
  75 synonym: "Citraclean" RELATED [HMDB:]
  76 synonym: "Hydrocerol A" RELATED [HMDB:]
  77 synonym: "Citronensaeure" RELATED [ChEBI:]
  78 synonym: "CITRIC ACID" EXACT [PDBeChem:]
  79 synonym: "3-Carboxy-3-hydroxypentane-1,5-dioic acid" RELATED [HMDB:]
  80 synonym: "2-Hydroxytricarballylic acid" RELATED [KEGG COMPOUND:]
  81 synonym: "Citric acid" EXACT [KEGG COMPOUND:]
  82 synonym: "2-Hydroxy-1,2,3-propanetricarboxylic acid" RELATED [KEGG COMPOUND:]
  83 synonym: "C6H8O7" RELATED FORMULA [ChEBI:]
  84 synonym: "OC(=O)CC(O)(CC(O)=O)C(O)=O" RELATED SMILES [ChEBI:]
  85 synonym: "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" RELATED InChI [ChEBI:]
  86 synonym: "KRKNYBCHXYNGOX-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:]
  87 xref: CiteXplore:15154867 "PubMed citation"
  88 xref: CiteXplore:19212411 "PubMed citation"
  89 xref: CiteXplore:9625050 "PubMed citation"
  90 xref: CiteXplore:12850842 "PubMed citation"
  91 xref: CiteXplore:16232627 "PubMed citation"
  92 xref: CiteXplore:22115968 "PubMed citation"
  93 xref: Beilstein:782061 "Beilstein Registry Number"
  94 xref: CiteXplore:19259987 "PubMed citation"
  95 xref: CiteXplore:15132705 "PubMed citation"
  96 xref: CiteXplore:16645424 "PubMed citation"
  97 xref: CiteXplore:8412012 "PubMed citation"
  98 xref: CiteXplore:15115669 "PubMed citation"
  99 xref: CiteXplore:7729054 "PubMed citation"
 100 xref: HMDB:HMDB00094 "HMDB"
 101 xref: CiteXplore:18298573 "PubMed citation"
 102 xref: CiteXplore:17357118 "PubMed citation"
 103 xref: CiteXplore:16038021 "PubMed citation"
 104 xref: CiteXplore:12957820 "PubMed citation"
 105 xref: CiteXplore:19288211 "PubMed citation"
 106 xref: CiteXplore:22373571 "PubMed citation"
 107 xref: CiteXplore:22509852 "PubMed citation"
 108 xref: KEGG DRUG:D00037 "KEGG DRUG"
 109 xref: CiteXplore:11407968 "PubMed citation"
 110 xref: CiteXplore:24027187 "PubMed citation"
 111 xref: CiteXplore:18502700 "PubMed citation"
 112 xref: CiteXplore:1931558 "PubMed citation"
 113 xref: CiteXplore:11857437 "PubMed citation"
 114 xref: CiteXplore:18960216 "PubMed citation"
 115 xref: CiteXplore:22192423 "PubMed citation"
 116 xref: DrugBank:DB04272 "DrugBank"
 117 xref: CiteXplore:12871333 "PubMed citation"
 118 xref: CiteXplore:6705419 "PubMed citation"
 119 xref: CiteXplore:16787846 "PubMed citation"
 120 xref: CiteXplore:14537820 "PubMed citation"
 121 xref: CiteXplore:15311880 "PubMed citation"
 122 xref: KNApSAcK:C00007619 "KNApSAcK"
 123 xref: CiteXplore:17190852 "PubMed citation"
 124 xref: CiteXplore:14724361 "PubMed citation"
 125 xref: CiteXplore:15172066 "PubMed citation"
 126 xref: CiteXplore:9573551 "PubMed citation"
 127 xref: CiteXplore:12234950 "PubMed citation"
 128 xref: CiteXplore:12198595 "PubMed citation"
 129 xref: MetaCyc:CIT "MetaCyc"
 130 xref: CiteXplore:11762832 "PubMed citation"
 131 xref: CiteXplore:22264346 "PubMed citation"
 132 xref: Gmelin:4240 "Gmelin Registry Number"
 133 xref: Wikipedia:Citric_Acid "Wikipedia"
 134 xref: CiteXplore:8087979 "PubMed citation"
 135 xref: CiteXplore:12941351 "PubMed citation"
 136 xref: CiteXplore:11782123 "PubMed citation"
 137 xref: CiteXplore:15934243 "PubMed citation"
 138 xref: CiteXplore:17604395 "PubMed citation"
 139 xref: Wikipedia:Citric acid "Wikipedia"
 140 xref: CiteXplore:15689116 "PubMed citation"
 141 xref: CiteXplore:16351159 "PubMed citation"
 142 xref: Reaxys:782061 "Reaxys Registry Number"
 143 xref: ChemIDplus:77-92-9 "CAS Registry Number"
 144 xref: NIST Chemistry WebBook:77-92-9 "CAS Registry Number"
 145 xref: PDBeChem:CIT "PDBeChem"
 146 xref: KEGG COMPOUND:C00158 "KEGG COMPOUND"
 147 xref: KEGG COMPOUND:77-92-9 "CAS Registry Number"
 148 relationship: is_conjugate_acid_of CHEBI:35804
 149 is_a: CHEBI:27093
 150 relationship: has_role CHEBI:64049
 151 relationship: has_role CHEBI:38161
 152 relationship: has_role CHEBI:33281
 153 relationship: has_role CHEBI:78675
 154 is_a: CHEBI:00000
 155
 156
 157 [Term]
 158 id: CHEBI:6650
 159 name: malic acid
 160 def: "A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group." []
 161 synonym: "DL-Malic acid" RELATED [HMDB:]
 162 synonym: "Malic acid" EXACT [KEGG COMPOUND:]
 163 synonym: "alpha-hydroxysuccinic acid" RELATED [HMDB:]
 164 synonym: "Aepfelsaeure" RELATED [ChEBI:]
 165 synonym: "E296" RELATED [ChEBI:]
 166 synonym: "H2mal" RELATED [IUPAC:]
 167 synonym: "apple acid" RELATED [NIST Chemistry WebBook:]
 168 synonym: "2-Hydroxysuccinic acid" RELATED [HMDB:]
 169 synonym: "2-Hydroxyethane-1,2-dicarboxylic acid" RELATED [HMDB:]
 170 synonym: "hydroxysuccinic acid" RELATED [NIST Chemistry WebBook:]
 171 synonym: "2-Hydroxybutanedioic acid" RELATED [KEGG COMPOUND:]
 172 synonym: "2-hydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC:]
 173 synonym: "hydroxybutanedioic acid" RELATED [NIST Chemistry WebBook:]
 174 synonym: "C4H6O5" RELATED FORMULA [KEGG COMPOUND:]
 175 synonym: "OC(CC(O)=O)C(O)=O" RELATED SMILES [ChEBI:]
 176 synonym: "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)" RELATED InChI [ChEBI:]
 177 synonym: "BJEPYKJPYRNKOW-UHFFFAOYSA-N" RELATED InChIKey [ChEBI:]
 178 xref: CiteXplore:17439666 "PubMed citation"
 179 xref: Gmelin:3325 "Gmelin Registry Number"
 180 xref: CiteXplore:22411507 "PubMed citation"
 181 xref: KEGG COMPOUND:C00711 "KEGG COMPOUND"
 182 xref: Beilstein:1723539 "Beilstein Registry Number"
 183 xref: MetaCyc:RS-Malate "MetaCyc"
 184 xref: HMDB:HMDB00744 "HMDB"
 185 xref: ChemIDplus:6915-15-7 "CAS Registry Number"
 186 xref: CiteXplore:17190852 "PubMed citation"
 187 xref: CiteXplore:17896933 "PubMed citation"
 188 xref: KEGG DRUG:D04843 "KEGG DRUG"
 189 xref: CiteXplore:15767321 "PubMed citation"
 190 xref: CiteXplore:19743855 "PubMed citation"
 191 xref: NIST Chemistry WebBook:6915-15-7 "CAS Registry Number"
 192 xref: Reaxys:1723539 "Reaxys Registry Number"
 193 xref: Wikipedia:Malic_acid "Wikipedia"
 194 relationship: has_functional_parent CHEBI:15741
 195 relationship: is_conjugate_acid_of CHEBI:15595
 196 is_a: CHEBI:50263
 197 relationship: has_role CHEBI:64049
 198 is_a: CHEBI:66873
 199 relationship: has_role CHEBI:78675
 200 is_a: CHEBI:00000
 201
 202
 203 [Term]
 204 id: CHEBI:17234
 205 name: glucose
 206 alt_id: CHEBI:14313
 207 alt_id: CHEBI:5418
 208 alt_id: CHEBI:24277
 209 alt_id: CHEBI:33929
 210 def: "An aldohexose used as a source of energy and metabolic intermediate." []
 211 synonym: "Glukose" RELATED [ChEBI:]
 212 synonym: "gluco-hexose" EXACT IUPAC_NAME [IUPAC:]
 213 synonym: "DL-glucose" RELATED [ChEBI:]
 214 synonym: "glucose" EXACT IUPAC_NAME [IUPAC:]
 215 synonym: "Glc" RELATED [JCBN:]
 216 synonym: "glucose" EXACT [UniProt:]
 217 synonym: "Glucose" EXACT [KEGG COMPOUND:]
 218 synonym: "C6H12O6" RELATED FORMULA [KEGG COMPOUND:]
 219 xref: Wikipedia:Glucose "Wikipedia"
 220 xref: KEGG COMPOUND:C00293 "KEGG COMPOUND"
 221 xref: KEGG COMPOUND:50-99-7 "CAS Registry Number"
 222 relationship: has_role CHEBI:78675
 223 is_a: CHEBI:33917
 224 is_a: CHEBI:00000
 225
 226
 227 [Term]
 228 id: CHEBI:28757
 229 name: fructose
 230 alt_id: CHEBI:5172
 231 alt_id: CHEBI:24110
 232 alt_id: CHEBI:24104
 233 def: "A ketohexose that is an isomer of glucose." []
 234 synonym: "Fruktose" RELATED [ChEBI:]
 235 synonym: "fructose" EXACT IUPAC_NAME [IUPAC:]
 236 synonym: "arabino-hex-2-ulose" EXACT IUPAC_NAME [IUPAC:]
 237 synonym: "Fruchtzucker" RELATED [ChEBI:]
 238 synonym: "Fru" RELATED [JCBN:]
 239 synonym: "arabino-Hexulose" RELATED [KEGG COMPOUND:]
 240 synonym: "Fructose" EXACT [KEGG COMPOUND:]
 241 synonym: "C6H12O6" RELATED FORMULA [ChEBI:]
 242 xref: DrugBank:DB04173 "DrugBank"
 243 xref: Wikipedia:Fructose "Wikipedia"
 244 xref: KEGG COMPOUND:C01496 "KEGG COMPOUND"
 245 xref: ChemIDplus:30237-26-4 "CAS Registry Number"
 246 is_a: CHEBI:24973
 247 relationship: has_role CHEBI:78675
 248 is_a: CHEBI:00000
 249
 250
 251 [Term]
 252 id: CHEBI:16638
 253 name: 3-methylbutanal
 254 alt_id: CHEBI:11854
 255 alt_id: CHEBI:20124
 256 alt_id: CHEBI:1595
 257 subset: 3_STAR
 258 def: "A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives." []
 259 synonym: "3-methylbutyraldehyde" RELATED [ChEBI]
 260 synonym: "Isovaleral" RELATED [ChemIDplus]
 261 synonym: "iso-C4H9CHO" RELATED [NIST_Chemistry_WebBook]
 262 synonym: "Isopentaldehyde" RELATED [ChemIDplus]
 263 synonym: "3-methylbutanal" EXACT IUPAC_NAME [IUPAC]
 264 synonym: "Isovalerylaldehyde" RELATED [ChemIDplus]
 265 synonym: "Isoamyl aldehyde" RELATED [ChemIDplus]
 266 synonym: "beta-Methylbutanal" RELATED [NIST_Chemistry_WebBook]
 267 synonym: "3-Methylbutanal" EXACT [KEGG_COMPOUND]
 268 synonym: "Isovaleraldehyde" RELATED [KEGG_COMPOUND]
 269 synonym: "86.13230" RELATED MASS [ChEBI]
 270 synonym: "86.073" RELATED MONOISOTOPIC_MASS [ChEBI]
 271 synonym: "C5H10O" RELATED FORMULA [ChEBI]
 272 synonym: "86.073" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND]
 273 synonym: "0" RELATED CHARGE [ChEBI]
 274 synonym: "C5H10O" RELATED FORMULA [KEGG_COMPOUND]
 275 synonym: "CC(C)CC=O" RELATED SMILES [ChEBI]
 276 synonym: "InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3" RELATED InChI [ChEBI]
 277 synonym: "YGHRJJRRZDOVPD-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 278 xref: MetaCyc:CPD-7031
 279 xref: CAS:590-86-3 "ChemIDplus"
 280 xref: Reaxys:773692 "Reaxys"
 281 xref: HMDB:HMDB06478
 282 xref: Wikipedia:Isovaleraldehyde
 283 xref: PMID:23182362 "Europe PMC"
 284 xref: PMID:24295708 "Europe PMC"
 285 xref: Beilstein:773692 "Beilstein"
 286 xref: KEGG:C07329
 287 xref: CAS:590-86-3 "KEGG COMPOUND"
 288 relationship: has_role CHEBI:35617
 289 relationship: has_role CHEBI:76924
 290 relationship: has_role CHEBI:27311
 291 relationship: has_role CHEBI:75772
 292 is_a: CHEBI:25282
 293 is_a: CHEBI:00000
 294
 295
 296 [Term]
 297 id: CHEBI:89945
 298 name: 1-Penten-3-one
 299 subset: 2_STAR
 300 synonym: "Ethyl vinyl ketone" RELATED [HMDB]
 301 synonym: "FEMA 3382" RELATED [HMDB]
 302 synonym: "Propionylethylene" RELATED [HMDB]
 303 synonym: "1-Pentene-3-one" RELATED [HMDB]
 304 synonym: "Vinyl ethyl ketone" RELATED [HMDB]
 305 synonym: "Penten-3-one" RELATED [HMDB]
 306 synonym: "Ethylvinylketone" RELATED [HMDB]
 307 synonym: "Pent-1-en-3-one" RELATED [HMDB]
 308 synonym: "1-Penten-3-one (ethyl vinyl ketone)" RELATED [HMDB]
 309 synonym: "Pentenone" RELATED [HMDB]
 310 synonym: "C2H5COCH=CH2" RELATED [HMDB]
 311 synonym: "pent-1-en-3-one" EXACT IUPAC_NAME [HMDB]
 312 synonym: "Ethylvinyl ketone" RELATED [HMDB]
 313 synonym: "Ketone, ethyl vinyl" RELATED [HMDB]
 314 synonym: "0" RELATED CHARGE [HMDB]
 315 synonym: "C5H8O" RELATED FORMULA [HMDB]
 316 synonym: "84.117" RELATED MASS [HMDB]
 317 synonym: "84.058" RELATED MONOISOTOPIC_MASS [HMDB]
 318 synonym: "InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3" RELATED InChI [ChEBI]
 319 synonym: "C=CC(CC)=O" RELATED SMILES [ChEBI]
 320 synonym: "JLIDVCMBCGBIEY-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 321 xref: PMID:24421258 "Europe PMC"
 322 xref: KNApSAcK:C00035785
 323 xref: HMDB:HMDB31607
 324 xref: CAS:1629-58-9 "KEGG COMPOUND"
 325 xref: PMID:21386183 "Europe PMC"
 326 is_a: CHEBI:78840
 327 relationship: has_functional_parent CHEBI:18308
 328 is_a: CHEBI:00000
 329
 330
 331 [Term]
 332 id: CHEBI:40116
 333 name: propyl acetate
 334 subset: 3_STAR
 335 def: "An  acetate ester obtained by the formal condensation of acetic acid with propanol." []
 336 synonym: "propyl ethanoate" RELATED [ChEBI]
 337 synonym: "1-acetoxypropane" RELATED [ChEBI]
 338 synonym: "propyl acetate" EXACT IUPAC_NAME [IUPAC]
 339 synonym: "n-Propyl acetate" RELATED [NIST_Chemistry_WebBook]
 340 synonym: "C5H10O2" RELATED FORMULA [ChEBI]
 341 synonym: "102.068" RELATED MONOISOTOPIC_MASS [ChEBI]
 342 synonym: "102.13170" RELATED MASS [ChEBI]
 343 synonym: "0" RELATED CHARGE [ChEBI]
 344 synonym: "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" RELATED InChI [ChEBI]
 345 synonym: "YKYONYBAUNKHLG-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 346 synonym: "CCCOC(C)=O" RELATED SMILES [ChEBI]
 347 xref: PMID:22821412 "Europe PMC"
 348 xref: PDBeChem:4PA
 349 xref: DrugBank:DB01670
 350 xref: Wikipedia:Propyl_acetate
 351 xref: Patent:WO2011071131
 352 xref: HMDB:HMDB34237
 353 xref: CAS:109-60-4 "NIST Chemistry WebBook"
 354 xref: PMID:21535646 "Europe PMC"
 355 is_a: CHEBI:47622
 356 relationship: has_functional_parent CHEBI:28831
 357 relationship: has_role CHEBI:48318
 358 relationship: has_role CHEBI:76924
 359 is_a: CHEBI:00000
 360
 361 [Term]
 362 id: CHEBI:93781
 363 name: 2-[[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]amino]-3-methyl-1-butanol
 364 subset: 2_STAR
 365 synonym: "0" RELATED CHARGE [LINCS]
 366 synonym: "388.895" RELATED MASS [LINCS]
 367 synonym: "388.178" RELATED MONOISOTOPIC_MASS [LINCS]
 368 synonym: "C19H25ClN6O" RELATED FORMULA [LINCS]
 369 synonym: "InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)" RELATED InChI [ChEBI]
 370 synonym: "PMXCMJLOPOFPBT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 371 synonym: "CC(C)C(CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C" RELATED SMILES [ChEBI]
 372 xref: LINCS:LSM-4292
 373 is_a: CHEBI:20706
 374 is_a: CHEBI:00000
 375
 376
 377 [Term]
 378 id: CHEBI:88419
 379 name: Tiglic aldehyde
 380 subset: 2_STAR
 381 synonym: "CH3CH=C(CH3)CHO" RELATED [HMDB]
 382 synonym: "Tiglaldehyde (2-Methyl-2-butenal)" RELATED [HMDB]
 383 synonym: "(E)-2-Methyl-2-butenal" RELATED [HMDB]
 384 synonym: "2-Methylbut-(E)-2-enal" RELATED [HMDB]
 385 synonym: "2-Methyl-2-butenal, (E)" RELATED [HMDB]
 386 synonym: "E-2-Methyl-2-butenal" RELATED [HMDB]
 387 synonym: "(E)-2-Methylbut-2-enal" RELATED [HMDB]
 388 synonym: "2-Butenal,2-methyl-(Z)-" RELATED [HMDB]
 389 synonym: "2-Methyl-(E)-Crotonaldehyde" RELATED [HMDB]
 390 synonym: "2-Methyl-2(E)-butenal" RELATED [HMDB]
 391 synonym: "2-Methyl-Crotonaldehyde" RELATED [HMDB]
 392 synonym: "2-Methyl-2-butenal, trans" RELATED [HMDB]
 393 synonym: "trans-2-Methyl-2-butenal" RELATED [HMDB]
 394 synonym: "FEMA 3407" RELATED [HMDB]
 395 synonym: "Tiglic acid aldehyde" RELATED [HMDB]
 396 synonym: "(2E)-2-Methyl-2-butenal" RELATED [HMDB]
 397 synonym: "2-Methyl-2-Butenal" RELATED [HMDB]
 398 synonym: "(E)-2-Methylcrotonaldehyde" RELATED [HMDB]
 399 synonym: "Tiglinaldehyde" RELATED [HMDB]
 400 synonym: "2-Methyl-(E)-2-Butenal" RELATED [HMDB]
 401 synonym: "trans-2-Methylcrotonaldehyde" RELATED [HMDB]
 402 synonym: "Crotonaldehyde, 2-methyl-, (E)- (8CI)" RELATED [HMDB]
 403 synonym: "2-Methyl-(E)-2-butenal" RELATED [HMDB]
 404 synonym: "Trans-tiglaldehyde" RELATED [HMDB]
 405 synonym: "Tiglaldehyde" RELATED [HMDB]
 406 synonym: "2-Methyl-(2E)-2-Butenal" RELATED [HMDB]
 407 synonym: "(E)-2-Methylbut-2-en-1-al" RELATED [HMDB]
 408 synonym: "trans-Tigaldehyde" RELATED [HMDB]
 409 synonym: "Tiglaldehyde" RELATED [HMDB]
 410 synonym: "2-Methyl-(2E)-2-Butenal" RELATED [HMDB]
 411 synonym: "(E)-2-Methylbut-2-en-1-al" RELATED [HMDB]
 412 synonym: "trans-Tigaldehyde" RELATED [HMDB]
 413 synonym: "(Z)-2-Butenal,2-methyl-" RELATED [HMDB]
 414 synonym: "(2Z)-2-methylbut-2-enal" EXACT IUPAC_NAME [HMDB]
 415 synonym: "trans-2,3-Dimethylacrolein" RELATED [HMDB]
 416 synonym: "0" RELATED CHARGE [HMDB]
 417 synonym: "C5H8O" RELATED FORMULA [HMDB]
 418 synonym: "84.117" RELATED MASS [HMDB]
 419 synonym: "84.058" RELATED MONOISOTOPIC_MASS [HMDB]
 420 synonym: "C/C=C(/C)\\C=O" RELATED SMILES [ChEBI]
 421 synonym: "ACWQBUSCFPJUPN-HYXAFXHYSA-N" RELATED InChIKey [ChEBI]
 422 synonym: "InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-" RELATED InChI [ChEBI]
 423 xref: PMID:24421258 "Europe PMC"
 424 xref: HMDB:HMDB31512
 425 xref: PMID:17314143 "Europe PMC"
 426 xref: CAS:497-03-0 "KEGG COMPOUND"
 427 xref: Wikipedia:Tiglic_aldehyde
 428 is_a: CHEBI:35188
 429 is_a: CHEBI:00000
 430
 431 [Term]
 432 id: CHEBI:50569
 433 name: isobutyl acetate
 434 subset: 3_STAR
 435 def: "The acetate ester of isobutanol." []
 436 synonym: "2-methyl-1-propyl acetate" RELATED [ChemIDplus]
 437 synonym: "beta-methylpropyl ethanoate" RELATED [NIST_Chemistry_WebBook]
 438 synonym: "acetic acid, isobutyl ester" RELATED [ChemIDplus]
 439 synonym: "2-methylpropyl ethanoate" RELATED [NIST_Chemistry_WebBook]
 440 synonym: "isobutyl acetate" EXACT IUPAC_NAME [IUPAC]
 441 synonym: "acetic acid, 2-methylpropyl ester" RELATED [ChemIDplus]
 442 synonym: "Isobutylacetat" RELATED [ChEBI]
 443 synonym: "i-butyl acetate" RELATED [NIST_Chemistry_WebBook]
 444 synonym: "isobutyl ethanoate" RELATED [NIST_Chemistry_WebBook]
 445 synonym: "Essigsaeureisobutylester" RELATED [ChEBI]
 446 synonym: "acetate d'isobutyle" RELATED [ChemIDplus]
 447 synonym: "Isobutylazetat" RELATED [ChEBI]
 448 synonym: "2-methylpropyl acetate" EXACT IUPAC_NAME [IUPAC]
 449 synonym: "C6H12O2" RELATED FORMULA [ChEBI]
 450 synonym: "116.15828" RELATED MASS [ChEBI]
 451 synonym: "116.084" RELATED MONOISOTOPIC_MASS [ChEBI]
 452 synonym: "0" RELATED CHARGE [ChEBI]
 453 synonym: "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" RELATED InChI [ChEBI]
 454 synonym: "CC(C)COC(C)=O" RELATED SMILES [ChEBI]
 455 synonym: "GJRQTCIYDGXPES-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 456 xref: Gmelin:101394 "Gmelin"
 457 xref: CAS:110-19-0 "ChemIDplus"
 458 xref: Reaxys:1741909 "Reaxys"
 459 xref: CAS:110-19-0 "NIST Chemistry WebBook"
 460 xref: Beilstein:1741909 "Beilstein"
 461 xref: Wikipedia:Isobutyl_acetate
 462 relationship: has_functional_parent CHEBI:46645
 463 is_a: CHEBI:47622
 464 relationship: has_role CHEBI:75772
 465 is_a: CHEBI:00000
 466
 467 [Term]
 468 id: CHEBI:23292
 469 name: cis-3-hexenal
 470 subset: 3_STAR
 471 def: "The cis-isomer of 3-hexenal." []
 472 synonym: "(3Z)-hex-3-enal" EXACT IUPAC_NAME [IUPAC]
 473 synonym: "(3Z)-Hexenal" RELATED [KEGG_COMPOUND]
 474 synonym: "98.14300" RELATED MASS [ChEBI]
 475 synonym: "98.073" RELATED MONOISOTOPIC_MASS [ChEBI]
 476 synonym: "C6H10O" RELATED FORMULA [ChEBI]
 477 synonym: "0" RELATED CHARGE [ChEBI]
 478 synonym: "GXANMBISFKBPEX-ARJAWSKDSA-N" RELATED InChIKey [ChEBI]
 479 synonym: "CC\\C=C/CC=O" RELATED SMILES [ChEBI]
 480 synonym: "InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-" RELATED InChI [ChEBI]
 481 xref: Reaxys:1720171 "Reaxys"
 482 xref: AGR:IND20511481 "Europe PMC"
 483 xref: KNApSAcK:C00000353
 484 xref: LIPID_MAPS_instance:LMFA06000110 "LIPID MAPS"
 485 xref: KEGG:C16310
 486 xref: PMID:14732275 "Europe PMC"
 487 xref: Patent:US4241098
 488 xref: HMDB:HMDB31498
 489 xref: AGR:IND44686640 "Europe PMC"
 490 xref: Wikipedia:Cis-3-Hexenal
 491 xref: CAS:6789-80-6 "ChemIDplus"
 492 xref: AGR:IND44685237 "Europe PMC"
 493 is_a: CHEBI:20030
 494 relationship: has_role CHEBI:35617
 495 relationship: has_role CHEBI:76924
 496 is_a: CHEBI:00000
 497
 498 [Term]
 499 id: CHEBI:88528
 500 name: hexanal
 501 subset: 3_STAR
 502 def: "A saturated fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde." []
 503 synonym: "Caproic aldehyde" RELATED [LIPID_MAPS]
 504 synonym: "hexanal" EXACT [UniProt]
 505 synonym: "Aldehyde C-6" RELATED [ChemIDplus]
 506 synonym: "Hexaldehyde" RELATED [ChemIDplus]
 507 synonym: "Hexaldehyde" RELATED [HMDB]
 508 synonym: "n-Caproic aldehyde" RELATED [ChemIDplus]
 509 synonym: "Hexan-1-al" RELATED [NIST_Chemistry_WebBook]
 510 synonym: "N-Hexylaldehyde" RELATED [HMDB]
 511 synonym: "1-Hexanal" RELATED [ChemIDplus]
 512 synonym: "C6 aldehyde" RELATED [ChemIDplus]
 513 synonym: "Hexanaldehyde" RELATED [HMDB]
 514 synonym: "Hexylaldehyde" RELATED [HMDB]
 515 synonym: "Hexoic aldehyde" RELATED [ChemIDplus]
 516 synonym: "n-C5H11CHO" RELATED [NIST_Chemistry_WebBook]
 517 synonym: "Caproaldehyde" RELATED [HMDB]
 518 synonym: "hexanal" EXACT IUPAC_NAME [IUPAC]
 519 synonym: "N-Caproaldehyde" RELATED [HMDB]
 520 synonym: "N-Hexanal" RELATED [HMDB]
 521 synonym: "100.159" RELATED MASS [ChEBI]
 522 synonym: "C6H12O" RELATED FORMULA [ChEBI]
 523 synonym: "0" RELATED CHARGE [ChEBI]
 524 synonym: "100.089" RELATED MONOISOTOPIC_MASS [ChEBI]
 525 synonym: "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" RELATED InChI [ChEBI]
 526 synonym: "C(CCC)CC([H])=O" RELATED SMILES [ChEBI]
 527 synonym: "JARKCYVAAOWBJS-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 528 xref: PMID:22284503 "Europe PMC"
 529 xref: CAS:66-25-1 "NIST Chemistry WebBook"
 530 xref: KNApSAcK:C00000357
 531 xref: PMID:17487452 "Europe PMC"
 532 xref: LIPID_MAPS_instance:LMFA06000109 "LIPID MAPS"
 533 xref: Beilstein:506198 "ChemIDplus"
 534 xref: MetaCyc:HEXANAL
 535 xref: HMDB:HMDB05994
 536 xref: PMID:19167006 "Europe PMC"
 537 xref: Wikipedia:Hexanal
 538 xref: Reaxys:506198 "Reaxys"
 539 xref: PMID:27025353 "Europe PMC"
 540 xref: CAS:66-25-1 "ChemIDplus"
 541 relationship: has_parent_hydride CHEBI:29021
 542 relationship: has_role CHEBI:84087
 543 is_a: CHEBI:133249
 544 is_a: CHEBI:00000
 545
 546 [Term]
 547 id: CHEBI:28484
 548 name: isovaleric acid
 549 alt_id: CHEBI:24930
 550 alt_id: CHEBI:6069
 551 alt_id: CHEBI:43426
 552 subset: 3_STAR
 553 def: "A C5, branched-chain saturated fatty acid." []
 554 synonym: "isobutylformic acid" RELATED [ChemIDplus]
 555 synonym: "beta-methylbutyric acid" RELATED [NIST_Chemistry_WebBook]
 556 synonym: "3-methylbutyric acid" RELATED [NIST_Chemistry_WebBook]
 557 synonym: "isopropylacetic acid" RELATED [ChemIDplus]
 558 synonym: "isopentanoic acid" RELATED [ChemIDplus]
 559 synonym: "3-Methylbuttersaeure" RELATED [ChEBI]
 560 synonym: "Isovalerate" RELATED [KEGG_COMPOUND]
 561 synonym: "3-methyl-n-butyric acid" RELATED [ChEBI]
 562 synonym: "delphinic acid" RELATED [ChemIDplus]
 563 synonym: "Isovaleriansaeure" RELATED [ChEBI]
 564 synonym: "Isovaleric acid" EXACT [KEGG_COMPOUND]
 565 synonym: "isovalerianic acid" RELATED [ChemIDplus]
 566 synonym: "3-methylbutanoic acid" EXACT IUPAC_NAME [IUPAC]
 567 synonym: "Isovaleric acid" EXACT [KEGG_COMPOUND]
 568 synonym: "3-Methylbutanoic acid" RELATED [KEGG_COMPOUND]
 569 synonym: "ISOVALERIC ACID" EXACT [PDBeChem]
 570 synonym: "102.068" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND]
 571 synonym: "102.13170" RELATED MASS [ChEBI]
 572 synonym: "0" RELATED CHARGE [ChEBI]
 573 synonym: "C5H10O2" RELATED FORMULA [KEGG_COMPOUND]
 574 synonym: "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)" RELATED InChI [ChEBI]
 575 synonym: "GWYFCOCPABKNJV-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 576 synonym: "CC(C)CC(O)=O" RELATED SMILES [ChEBI]
 577 xref: CAS:503-74-2 "NIST Chemistry WebBook"
 578 xref: Beilstein:1098522 "ChemIDplus"
 579 xref: PMID:12743728 "Europe PMC"
 580 xref: Gmelin:101117 "Gmelin"
 581 xref: DrugBank:DB03750
 582 xref: KNApSAcK:C00001189
 583 xref: LIPID_MAPS_instance:LMFA01020181 "LIPID MAPS"
 584 xref: CAS:503-74-2 "ChemIDplus"
 585 xref: KEGG:C08262
 586 xref: CAS:503-74-2 "KEGG COMPOUND"
 587 xref: PDBeChem:IVA
 588 is_a: CHEBI:26666
 589 is_a: CHEBI:38653
 590 is_a: CHEBI:39417
 591 relationship: is_conjugate_acid_of CHEBI:48942
 592 relationship: has_role CHEBI:76924
 593 relationship: has_role CHEBI:75768
 594 is_a: CHEBI:00000
 595
 596 [Term]
 597 id: CHEBI:50585
 598 name: 2-methylbutyl acetate
 599 subset: 3_STAR
 600 def: "The  acetate ester of 2-methylbutan-1-ol." []
 601 synonym: "2-methyl-1-butyl acetate" RELATED [ChemIDplus]
 602 synonym: "acetic acid 2-methylbutyl ester" RELATED [NIST_Chemistry_WebBook]
 603 synonym: "2-methylbutyl acetate" EXACT IUPAC_NAME [IUPAC]
 604 synonym: "2-methyl-1-butanol acetate" RELATED [NIST_Chemistry_WebBook]
 605 synonym: "2-methylbutanol acetate" RELATED [NIST_Chemistry_WebBook]
 606 synonym: "130.099" RELATED MONOISOTOPIC_MASS [ChEBI]
 607 synonym: "C7H14O2" RELATED FORMULA [ChEBI]
 608 synonym: "0" RELATED CHARGE [ChEBI]
 609 synonym: "130.18486" RELATED MASS [ChEBI]
 610 synonym: "CCC(C)COC(C)=O" RELATED SMILES [ChEBI]
 611 synonym: "XHIUFYZDQBSEMF-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 612 synonym: "InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3" RELATED InChI [ChEBI]
 613 xref: CAS:624-41-9 "NIST Chemistry WebBook"
 614 xref: Beilstein:1720551 "Beilstein"
 615 xref: CAS:624-41-9 "ChemIDplus"
 616 relationship: has_functional_parent CHEBI:48945
 617 is_a: CHEBI:47622
 618 relationship: has_role CHEBI:25212
 619 relationship: has_role CHEBI:75772
 620 is_a: CHEBI:00000
 621
 622 [Term]
 623 id: CHEBI:49017
 624 name: 3-methylthiopropanal
 625 subset: 3_STAR
 626 synonym: "3-(Methylmercapto)propionaldehyde" RELATED [ChemIDplus]
 627 synonym: "3-(methylsulfanyl)propanal" EXACT IUPAC_NAME [IUPAC]
 628 synonym: "4-Thiapentanal" RELATED [ChemIDplus]
 629 synonym: "3-(Methylthio)propionaldehyde" RELATED [ChemIDplus]
 630 synonym: "beta-(Methylmercapto)propionaldehyde" RELATED [NIST_Chemistry_WebBook]
 631 synonym: "beta-(Methylthio)propionaldehyde" RELATED [NIST_Chemistry_WebBook]
 632 synonym: "methional" RELATED [ChemIDplus]
 633 synonym: "3-(Methylthio)propanal" RELATED [ChemIDplus]
 634 synonym: "104.030" RELATED MONOISOTOPIC_MASS [ChemIDplus]
 635 synonym: "C4H8OS" RELATED FORMULA [ChemIDplus]
 636 synonym: "104.17172" RELATED MASS [ChEBI]
 637 synonym: "0" RELATED CHARGE [ChEBI]
 638 synonym: "CSCCC=O" RELATED SMILES [ChEBI]
 639 synonym: "CLUWOWRTHNNBBU-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 640 synonym: "InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3" RELATED InChI [ChEBI]
 641 xref: CAS:3268-49-3 "ChemIDplus"
 642 xref: Beilstein:1739289 "Beilstein"
 643 relationship: has_role CHEBI:49023
 644 relationship: has_functional_parent CHEBI:17153
 645 is_a: CHEBI:22327
 646 is_a: CHEBI:00000
 647
 648 [Term]
 649 id: CHEBI:17169
 650 name: benzaldehyde
 651 alt_id: CHEBI:3019
 652 alt_id: CHEBI:13875
 653 alt_id: CHEBI:22697
 654 subset: 3_STAR
 655 def: "An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes." []
 656 synonym: "Benzenecarboxaldehyde" RELATED [ChemIDplus]
 657 synonym: "Benzoic acid aldehyde" RELATED [HMDB]
 658 synonym: "benzaldehyde" EXACT IUPAC_NAME [IUPAC]
 659 synonym: "Phenylmethanal" RELATED [ChemIDplus]
 660 synonym: "Phenylformaldehyde" RELATED [HMDB]
 661 synonym: "Benzenemethylal" RELATED [ChemIDplus]
 662 synonym: "Benzylaldehyde" RELATED [NIST_Chemistry_WebBook]
 663 synonym: "benzaldehyde" EXACT [UniProt]
 664 synonym: "Benzoic aldehyde" RELATED [ChemIDplus]
 665 synonym: "Benzene carbaldehyde" RELATED [ChemIDplus]
 666 synonym: "Synthetic oil of bitter almond" RELATED [ChemIDplus]
 667 synonym: "Benzenecarbonal" RELATED [ChemIDplus]
 668 synonym: "Benzanoaldehyde" RELATED [HMDB]
 669 synonym: "Ethereal oil of bitter almonds" RELATED [HMDB]
 670 synonym: "Benzene carboxaldehyde" RELATED [ChemIDplus]
 671 synonym: "Artificial almond oil" RELATED [ChemIDplus]
 672 synonym: "Benzoic aldehyde" RELATED [KEGG_COMPOUND]
 673 synonym: "Benzaldehyde" EXACT [KEGG_COMPOUND]
 674 synonym: "C7H6O" RELATED FORMULA [ChEBI]
 675 synonym: "106.12190" RELATED MASS [ChEBI]
 676 synonym: "106.042" RELATED MONOISOTOPIC_MASS [ChEBI]
 677 synonym: "0" RELATED CHARGE [ChEBI]
 678 synonym: "O=Cc1ccccc1" RELATED SMILES [ChEBI]
 679 synonym: "HUMNYLRZRPPJDN-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 680 synonym: "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" RELATED InChI [ChEBI]
 681 xref: Reaxys:471223 "Reaxys"
 682 xref: MetaCyc:BENZALDEHYDE
 683 xref: PMID:12692643 "Europe PMC"
 684 xref: PMID:21035797 "Europe PMC"
 685 xref: KEGG:D02314
 686 xref: PMID:15087594 "Europe PMC"
 687 xref: PMID:12738275 "Europe PMC"
 688 xref: PMID:20878540 "Europe PMC"
 689 xref: PMID:23263855 "Europe PMC"
 690 xref: Wikipedia:Benzaldehyde
 691 xref: PMID:21828928 "Europe PMC"
 692 xref: PDBeChem:HBX
 693 xref: PMID:15658857 "Europe PMC"
 694 xref: PMID:16557466 "Europe PMC"
 695 xref: CAS:100-52-7 "ChemIDplus"
 696 xref: CAS:100-52-7 "NIST Chemistry WebBook"
 697 xref: HMDB:HMDB06115
 698 xref: PMID:16248550 "Europe PMC"
 699 xref: PMID:16508147 "Europe PMC"
 700 xref: PMID:18348134 "Europe PMC"
 701 xref: PMID:12746108 "Europe PMC"
 702 xref: PMID:21538605 "Europe PMC"
 703 xref: KEGG:C00193
 704 xref: PMID:20733068 "Europe PMC"
 705 xref: PMID:11943806 "Europe PMC"
 706 xref: PMID:21773601 "Europe PMC"
 707 xref: PMID:1388821 "Europe PMC"
 708 xref: KEGG:C00261
 709 xref: CAS:100-52-7 "KEGG COMPOUND"
 710 xref: UM-BBD_compID:c0279 "ChEBI"
 711 relationship: has_role CHEBI:35617
 712 relationship: has_role CHEBI:48318
 713 relationship: has_role CHEBI:62873
 714 relationship: has_role CHEBI:76924
 715 relationship: has_role CHEBI:77118
 716 relationship: has_role CHEBI:65001
 717 is_a: CHEBI:22698
 718 is_a: CHEBI:00000
 719
 720 [Term]
 721 id: CHEBI:17935
 722 name: octanal
 723 alt_id: CHEBI:25641
 724 alt_id: CHEBI:11268
 725 alt_id: CHEBI:659
 726 subset: 3_STAR
 727 def: "A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid)." []
 728 synonym: "n-caprylaldehyde" RELATED [NIST_Chemistry_WebBook]
 729 synonym: "octanoic aldehyde" RELATED [NIST_Chemistry_WebBook]
 730 synonym: "octanaldehyde" RELATED [NIST_Chemistry_WebBook]
 731 synonym: "Oktanal" RELATED [ChEBI]
 732 synonym: "n-octaldehyde" RELATED [ChemIDplus]
 733 synonym: "n-octylal" RELATED [ChemIDplus]
 734 synonym: "aldehyde C-8" RELATED [ChemIDplus]
 735 synonym: "Caprylaldehyd" RELATED [ChEBI]
 736 synonym: "Kaprylaldehyd" RELATED [ChEBI]
 737 synonym: "Octylaldehyd" RELATED [ChEBI]
 738 synonym: "octanal" EXACT IUPAC_NAME [IUPAC]
 739 synonym: "caprylic aldehyde" RELATED [ChemIDplus]
 740 synonym: "n-octanal" RELATED [ChemIDplus]
 741 synonym: "octylaldehyde" RELATED [NIST_Chemistry_WebBook]
 742 synonym: "C-8 aldehyde" RELATED [NIST_Chemistry_WebBook]
 743 synonym: "n-octyl aldehyde" RELATED [NIST_Chemistry_WebBook]
 744 synonym: "caprylaldehyde" RELATED [LIPID_MAPS]
 745 synonym: "Oktylaldehyd" RELATED [ChEBI]
 746 synonym: "octanal" EXACT [UniProt]
 747 synonym: "octan-1-al" RELATED [ChEBI]
 748 synonym: "1-Caprylaldehyde" RELATED [KEGG_COMPOUND]
 749 synonym: "1-Octylaldehyde" RELATED [KEGG_COMPOUND]
 750 synonym: "1-Octanal" RELATED [KEGG_COMPOUND]
 751 synonym: "1-Octaldehyde" RELATED [KEGG_COMPOUND]
 752 synonym: "128.120" RELATED MONOISOTOPIC_MASS [ChEBI]
 753 synonym: "128.120" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND]
 754 synonym: "C8H16O" RELATED FORMULA [ChEBI]
 755 synonym: "128.21200" RELATED MASS [ChEBI]
 756 synonym: "0" RELATED CHARGE [ChEBI]
 757 synonym: "CCCCCCCC=O" RELATED SMILES [ChEBI]
 758 synonym: "NUJGJRNETVAIRJ-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 759 synonym: "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3" RELATED InChI [ChEBI]
 760 xref: PDBeChem:OYA
 761 xref: CAS:124-13-0 "NIST Chemistry WebBook"
 762 xref: Patent:US2012164085
 763 xref: Beilstein:1744086 "ChemIDplus"
 764 xref: Wikipedia:Octanal
 765 xref: LIPID_MAPS_instance:LMFA06000028 "LIPID MAPS"
 766 xref: KNApSAcK:C00030880
 767 xref: Gmelin:101464 "Gmelin"
 768 xref: MetaCyc:CPD-371
 769 xref: PMID:24295708 "Europe PMC"
 770 xref: Reaxys:1744086 "Reaxys"
 771 xref: HMDB:HMDB01140
 772 xref: PMID:24130214 "Europe PMC"
 773 xref: PMID:24001856 "Europe PMC"
 774 xref: UM-BBD_compID:c0046 "UM-BBD"
 775 xref: CAS:124-13-0 "ChemIDplus"
 776 xref: KEGG:C01545
 777 xref: CAS:124-13-0 "KEGG COMPOUND"
 778 relationship: has_role CHEBI:76924
 779 is_a: CHEBI:133249
 780 is_a: CHEBI:00000
 781
 782 [Term]
 783 id: CHEBI:133683
 784 name: 2-isobutylthiazole
 785 subset: 3_STAR
 786 def: "A 1,3-thiazole in which the hydrogen at position 2 has been replaced by an isobutyl group. A food flavour component with a green note that adds the characteristics of ripe tomatoes. Used in blackcurrent, papaya, melon, raspberry, and roast beef flavours, it also enhances the flavour of fresh lime." []
 787 synonym: "FEMA No. 3134" RELATED [ChemIDplus]
 788 synonym: "FEMA 3134" RELATED [ChEBI]
 789 synonym: "2-isobutyl-1,3-thiazole" EXACT IUPAC_NAME [IUPAC]
 790 synonym: "2-(2-methylpropyl)-1,3-thiazole" RELATED [NIST_Chemistry_WebBook]
 791 synonym: "2-(2-methylpropyl)thiazole" RELATED [ChemIDplus]
 792 synonym: "141.235" RELATED MASS [ChEBI]
 793 synonym: "C7H11NS" RELATED FORMULA [ChEBI]
 794 synonym: "141.061" RELATED MONOISOTOPIC_MASS [ChEBI]
 795 synonym: "0" RELATED CHARGE [ChEBI]
 796 synonym: "InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3" RELATED InChI [ChEBI]
 797 synonym: "N1=C(SC=C1)CC(C)C" RELATED SMILES [ChEBI]
 798 synonym: "CMPVUVUNJQERIT-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 799 xref: PMID:22998013 "Europe PMC"
 800 xref: PMID:12358442 "Europe PMC"
 801 xref: PMID:3245266 "Europe PMC"
 802 xref: CAS:18640-74-9 "ChemIDplus"
 803 xref: CAS:18640-74-9 "NIST Chemistry WebBook"
 804 xref: Reaxys:507823 "Reaxys"
 805 xref: PMID:20492278 "Europe PMC"
 806 xref: PMID:18459793 "Europe PMC"
 807 xref: PMID:21536621 "Europe PMC"
 808 xref: YMDB:YMDB01585
 809 xref: PMID:12537448 "Europe PMC"
 810 xref: PMID:21436234 "Europe PMC"
 811 xref: HMDB:HMDB31862
 812 is_a: CHEBI:38418
 813 relationship: has_role CHEBI:35617
 814 relationship: has_role CHEBI:26013
 815 relationship: has_role CHEBI:77523
 816 is_a: CHEBI:00000
 817
 818 [Term]
 819 id: CHEBI:16424
 820 name: phenylacetaldehyde
 821 alt_id: CHEBI:14778
 822 alt_id: CHEBI:43163
 823 alt_id: CHEBI:8084
 824 alt_id: CHEBI:25972
 825 subset: 3_STAR
 826 def: "An aldehyde that consists of acetaldehyde bearing a methyl substituent; the parent member of the phenylacetaldehyde class of compounds." []
 827 synonym: "2-Phenylethanal" RELATED [ChemIDplus]
 828 synonym: "Hyacinthin" RELATED [ChemIDplus]
 829 synonym: "2-phenylacetaldehyde" RELATED [NIST_Chemistry_WebBook]
 830 synonym: "Benzacetaldehyde" RELATED [NIST_Chemistry_WebBook]
 831 synonym: "phenylacetaldehyde" EXACT IUPAC_NAME [IUPAC]
 832 synonym: "Benzeneacetaldehyde" RELATED [HMDB]
 833 synonym: "alpha-tolualdehyde" RELATED [HMDB]
 834 synonym: "Phenylacetic aldehyde" RELATED [HMDB]
 835 synonym: "alpha-phenylacetaldehyde" RELATED [HMDB]
 836 synonym: "Phenacetaldehyde" RELATED [HMDB]
 837 synonym: "1-Oxo-2-phenylethane" RELATED [ChemIDplus]
 838 synonym: "alpha-toluic aldehyde" RELATED [HMDB]
 839 synonym: "phenylacetaldehyde" EXACT [UniProt]
 840 synonym: "PHENYLACETALDEHYDE" EXACT [PDBeChem]
 841 synonym: "alpha-Tolualdehyde" RELATED [KEGG_COMPOUND]
 842 synonym: "Phenylacetaldehyde" EXACT [KEGG_COMPOUND]
 843 synonym: "alpha-tolualdehyde" RELATED [ChEBI]
 844 synonym: "120.14850" RELATED MASS [ChEBI]
 845 synonym: "C8H8O" RELATED FORMULA [ChEBI]
 846 synonym: "120.058" RELATED MONOISOTOPIC_MASS [ChEBI]
 847 synonym: "0" RELATED CHARGE [ChEBI]
 848 synonym: "DTUQWGWMVIHBKE-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 849 synonym: "[H]C(=O)Cc1ccccc1" RELATED SMILES [ChEBI]
 850 synonym: "InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2" RELATED InChI [ChEBI]
 851 xref: PMID:21495722 "Europe PMC"
 852 xref: DrugBank:DB02178
 853 xref: MetaCyc:PHENYLACETALDEHYDE
 854 xref: CAS:122-78-1 "NIST Chemistry WebBook"
 855 xref: Reaxys:385791 "Reaxys"
 856 xref: PMID:14698165 "Europe PMC"
 857 xref: HMDB:HMDB06236
 858 xref: Wikipedia:Phenylacetaldehyde
 859 xref: PMID:16557466 "Europe PMC"
 860 xref: PMID:21627324 "Europe PMC"
 861 xref: KNApSAcK:C00007535
 862 xref: CAS:122-78-1 "ChemIDplus"
 863 xref: Beilstein:385791 "Beilstein"
 864 xref: PMID:18954073 "Europe PMC"
 865 xref: PDBeChem:HY1
 866 xref: CAS:122-78-1 "KEGG COMPOUND"
 867 xref: KEGG:C00601
 868 xref: UM-BBD_compID:c0210 "ChEBI"
 869 is_a: CHEBI:73359
 870 relationship: has_role CHEBI:77746
 871 relationship: has_role CHEBI:75772
 872 relationship: has_role CHEBI:76971
 873 relationship: has_role CHEBI:75771
 874 is_a: CHEBI:25973
 875 is_a: CHEBI:00000
 876
 877 [Term]
 878 id: CHEBI:16008
 879 name: salicylaldehyde
 880 alt_id: CHEBI:15060
 881 alt_id: CHEBI:9005
 882 alt_id: CHEBI:26593
 883 alt_id: CHEBI:49777
 884 subset: 3_STAR
 885 def: "A hydroxybenzaldehyde carrying a hydroxy substituent at position 2." []
 886 synonym: "salicylaldehyde" EXACT [UniProt]
 887 synonym: "Salizylaldehyd" RELATED [ChEBI]
 888 synonym: "Salicylaldehyd" RELATED [ChEBI]
 889 synonym: "salicylal" RELATED [NIST_Chemistry_WebBook]
 890 synonym: "2-Hydroxybenzaldehyde" RELATED [KEGG_COMPOUND]
 891 synonym: "o-formylphenol" RELATED [NIST_Chemistry_WebBook]
 892 synonym: "2-hydroxybenzaldehyde" EXACT IUPAC_NAME [IUPAC]
 893 synonym: "Salicylaldehyde" EXACT [KEGG_COMPOUND]
 894 synonym: "o-Hydroxybenzaldehyde" RELATED [KEGG_COMPOUND]
 895 synonym: "122.12134" RELATED MASS [ChEBI]
 896 synonym: "122.037" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND]
 897 synonym: "0" RELATED CHARGE [ChEBI]
 898 synonym: "C7H6O2" RELATED FORMULA [KEGG_COMPOUND]
 899 synonym: "InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H" RELATED InChI [ChEBI]
 900 synonym: "[H]C(=O)c1ccccc1O" RELATED SMILES [ChEBI]
 901 synonym: "SMQUZDBALVYZAC-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 902 xref: HMDB:HMDB34170
 903 xref: Reaxys:471388 "Reaxys"
 904 xref: PMID:23379671 "Europe PMC"
 905 xref: MetaCyc:SALICYLALDEHYDE
 906 xref: PMID:23715243 "Europe PMC"
 907 xref: Gmelin:3273 "Gmelin"
 908 xref: PMID:18247142 "Europe PMC"
 909 xref: CAS:90-02-8 "ChemIDplus"
 910 xref: Beilstein:471388 "Beilstein"
 911 xref: Wikipedia:Salicylaldehyde
 912 xref: KEGG:C06202
 913 xref: CAS:90-02-8 "KEGG COMPOUND"
 914 xref: CAS:90-02-8 "NIST Chemistry WebBook"
 915 xref: UM-BBD_compID:c0337 "UM-BBD"
 916 xref: PDBeChem:NK
 917 is_a: CHEBI:24673
 918 relationship: has_role CHEBI:25491
 919 relationship: has_role CHEBI:76924
 920 is_a: CHEBI:00000
 921
 922
 923 [Term]
 924 id: CHEBI:28591
 925 name: guaiacol
 926 alt_id: CHEBI:24434
 927 alt_id: CHEBI:5549
 928 subset: 3_STAR
 929 def: "A  monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position." []
 930 synonym: "2-methoxyphenol" EXACT IUPAC_NAME [IUPAC]
 931 synonym: "2-Hydroxyanisole" RELATED [ChemIDplus]
 932 synonym: "Guaiacol" EXACT [KEGG_COMPOUND]
 933 synonym: "1-Hydroxy-2-methoxybenzene" RELATED [ChemIDplus]
 934 synonym: "2-methoxyphenol" RELATED [UniProt]
 935 synonym: "o-Methoxyphenol" RELATED [KEGG_COMPOUND]
 936 synonym: "Guaiacol" EXACT [KEGG_COMPOUND]
 937 synonym: "Catechol monomethyl ether" RELATED [KEGG_COMPOUND]
 938 synonym: "124.13722" RELATED MASS [ChEBI]
 939 synonym: "124.052" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND]
 940 synonym: "0" RELATED CHARGE [ChEBI]
 941 synonym: "C7H8O2" RELATED FORMULA [KEGG_COMPOUND]
 942 synonym: "COc1ccccc1O" RELATED SMILES [ChEBI]
 943 synonym: "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" RELATED InChI [ChEBI]
 944 synonym: "LHGVFZTZFXWLCP-UHFFFAOYSA-N" RELATED InChIKey [ChEBI]
 945 xref: KEGG:D00117
 946 xref: MetaCyc:CPD-400
 947 xref: KNApSAcK:C00029459
 948 xref: PDBeChem:JZ3
 949 xref: Patent:RU94026717
 950 xref: LINCS:LSM-6001
 951 xref: KEGG:C15572
 952 xref: Wikipedia:Guaiacol
 953 xref: Reaxys:508112 "Reaxys"
 954 xref: PMID:22103597 "Europe PMC"
 955 xref: HMDB:HMDB01398
 956 xref: CAS:90-05-1 "ChemIDplus"
 957 xref: KNApSAcK:C00002654
 958 xref: PMID:24295708 "Europe PMC"
 959 xref: PMID:23587706 "Europe PMC"
 960 xref: KEGG:C01502
 961 xref: CAS:90-05-1 "KEGG COMPOUND"
 962 relationship: has_role CHEBI:77035
 963 relationship: has_functional_parent CHEBI:18135
 964 relationship: has_role CHEBI:48219
 965 is_a: CHEBI:25235
 966 relationship: has_role CHEBI:76924
 967 relationship: has_role CHEBI:77484
 968 is_a: CHEBI:134251
 969 is_a: CHEBI:33853
 970 is_a: CHEBI:00000
 971
 972 [Term]
 973 id: CHEBI:67251
 974 name: beta-damascenone
 975 subset: 3_STAR
 976 def: "A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group." []
 977 synonym: "(E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one" RELATED [NIST_Chemistry_WebBook]
 978 synonym: "(E)-beta-damascenone" RELATED [NIST_Chemistry_WebBook]
 979 synonym: "(2E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one" RELATED [NIST_Chemistry_WebBook]
 980 synonym: "(E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one" RELATED [ChemIDplus]
 981 synonym: "damascenone" RELATED [NIST_Chemistry_WebBook]
 982 synonym: "trans-beta-damascenone" RELATED [NIST_Chemistry_WebBook]
 983 synonym: "(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one" EXACT IUPAC_NAME [IUPAC]
 984 synonym: "trans-damascenone" RELATED [NIST_Chemistry_WebBook]
 985 synonym: "beta-(E)-damascenone" RELATED [NIST_Chemistry_WebBook]
 986 synonym: "C13H18O" RELATED FORMULA [ChEBI]
 987 synonym: "190.28140" RELATED MASS [ChEBI]
 988 synonym: "0" RELATED CHARGE [ChEBI]
 989 synonym: "190.136" RELATED MONOISOTOPIC_MASS [ChEBI]
 990 synonym: "C\\C=C\\C(=O)C1=C(C)C=CCC1(C)C" RELATED SMILES [ChEBI]
 991 synonym: "InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+" RELATED InChI [ChEBI]
 992 synonym: "POIARNZEYGURDG-FNORWQNLSA-N" RELATED InChIKey [ChEBI]
 993 xref: PMID:22324474 "Europe PMC"
 994 xref: PMID:21254776 "Europe PMC"
 995 xref: CAS:23726-93-4 "ChemIDplus"
 996 xref: Wikipedia:Damascenone
 997 xref: PMID:22474978 "Europe PMC"
 998 xref: PMID:21417409 "Europe PMC"
 999 xref: PMID:22663147 "Europe PMC"
1000 xref: PMID:22890807 "Europe PMC"
1001 xref: PMID:22489542 "Europe PMC"
1002 xref: Reaxys:2046080 "Reaxys"
1003 xref: PMID:21866982 "Europe PMC"
1004 xref: PMID:21831389 "Europe PMC"
1005 xref: CAS:23726-93-4 "NIST Chemistry WebBook"
1006 is_a: CHEBI:51689
1007 is_a: CHEBI:49247
1008 is_a: CHEBI:23446
1009 relationship: has_role CHEBI:48318
1010 relationship: has_role CHEBI:27311
1011 relationship: has_role CHEBI:76924
1012 is_a: CHEBI:00000
1013
1014 [Term]
1015 id: CHEBI:67206
1016 name: geranyl acetone
1017 subset: 3_STAR
1018 def: "A monoterpene ketone in which an (E)-geranyl group is bonded to one of the alpha-methyls of acetone. It is a component of essential oils from various plants including  Nelumbo nucifera." []
1019 synonym: "(E)-6,10-Dimethylundeca-5,9-dien-2-one" RELATED [NIST_Chemistry_WebBook]
1020 synonym: "(E)-6,10-dimethyl-5,9-undecadien-2-one" RELATED [NIST_Chemistry_WebBook]
1021 synonym: "(5E)-6,10-dimethylundeca-5,9-dien-2-one" EXACT IUPAC_NAME [IUPAC]
1022 synonym: "trans-Geranylacetone" RELATED [NIST_Chemistry_WebBook]
1023 synonym: "geranylacetone" RELATED [ChEBI]
1024 synonym: "194.31320" RELATED MASS [ChEBI]
1025 synonym: "C13H22O" RELATED FORMULA [ChEBI]
1026 synonym: "0" RELATED CHARGE [ChEBI]
1027 synonym: "194.167" RELATED MONOISOTOPIC_MASS [ChEBI]
1028 synonym: "CC(=O)CC\\C=C(/C)CCC=C(C)C" RELATED SMILES [ChEBI]
1029 synonym: "InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+" RELATED InChI [ChEBI]
1030 synonym: "HNZUNIKWNYHEJJ-FMIVXFBMSA-N" RELATED InChIKey [ChEBI]
1031 xref: PMID:20603878 "Europe PMC"
1032 xref: PMID:11166310 "Europe PMC"
1033 xref: CAS:3796-70-1 "ChemIDplus"
1034 xref: PMID:22741541 "Europe PMC"
1035 xref: PMID:21240765 "Europe PMC"
1036 xref: PMID:20569134 "Europe PMC"
1037 xref: PMID:19919095 "Europe PMC"
1038 xref: PMID:19500173 "Europe PMC"
1039 xref: AGR:IND44391750 "Europe PMC"
1040 xref: AGR:IND44119406 "Europe PMC"
1041 xref: PMID:20127888 "Europe PMC"
1042 xref: Reaxys:1722277 "Reaxys"
1043 xref: HMDB:HMDB31846
1044 xref: PMID:20491081 "Europe PMC"
1045 xref: PMID:20564458 "Europe PMC"
1046 xref: PMID:20680414 "Europe PMC"
1047 xref: CAS:3796-70-1 "NIST Chemistry WebBook"
1048 relationship: has_part CHEBI:24224
1049 is_a: CHEBI:25408
1050 relationship: has_role CHEBI:35617
1051 relationship: has_role CHEBI:48318
1052 relationship: has_role CHEBI:27311
1053 relationship: has_role CHEBI:76924
1054 is_a: CHEBI:00000
1055
1056
1057 [Term]
1058 id: CHEBI:32325
1059 name: beta-ionone
1060 subset: 3_STAR
1061 def: "An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4." []
1062 synonym: "beta-Ionone" EXACT [KEGG_COMPOUND]
1063 synonym: "(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one" EXACT IUPAC_NAME [IUPAC]
1064 synonym: "trans-beta-Ionone" RELATED [ChemIDplus]
1065 synonym: "beta-ionone" EXACT [UniProt]
1066 synonym: "(E)-beta-Ionone" RELATED [NIST_Chemistry_WebBook]
1067 synonym: "trans-beta-Ionone" RELATED [NIST_Chemistry_WebBook]
1068 synonym: "(E)-beta-Ionone" RELATED [ChemIDplus]
1069 synonym: "beta-E-Ionone" RELATED [NIST_Chemistry_WebBook]
1070 synonym: "beta-Ionon" RELATED [ChEBI]
1071 synonym: "192.151" RELATED MONOISOTOPIC_MASS [KEGG_COMPOUND]
1072 synonym: "192.29730" RELATED MASS [ChEBI]
1073 synonym: "C13H20O" RELATED FORMULA [KEGG_COMPOUND]
1074 synonym: "0" RELATED CHARGE [ChEBI]
1075 synonym: "CC(=O)\\C=C\\C1=C(C)CCCC1(C)C" RELATED SMILES [ChEBI]
1076 synonym: "PSQYTAPXSHCGMF-BQYQJAHWSA-N" RELATED InChIKey [ChEBI]
1077 synonym: "InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+" RELATED InChI [ChEBI]
1078 xref: KNApSAcK:C00029816
1079 xref: CAS:79-77-6 "ChemIDplus"
1080 xref: PMID:12565197 "Europe PMC"
1081 xref: PMID:22187222 "Europe PMC"
1082 xref: PMID:23413580 "Europe PMC"
1083 xref: KEGG:C12287
1084 xref: Beilstein:1909545 "Beilstein"
1085 xref: HMDB:HMDB36565
1086 xref: PMID:18031901 "Europe PMC"
1087 xref: Reaxys:1909545 "Reaxys"
1088 xref: CAS:79-77-6 "NIST Chemistry WebBook"
1089 xref: CAS:79-77-6 "KEGG COMPOUND"
1090 xref: MetaCyc:CPD-7204
1091 xref: PMID:12719936 "Europe PMC"
1092 is_a: CHEBI:49248
1093 relationship: has_role CHEBI:22586
1094 relationship: has_role CHEBI:48318
1095 is_a:CHEBI:00000
1096
1097
1098
1099 [Typedef]
1100 id: has_part
1101 name: has part
1102 is_cyclic: false
1103 is_transitive: true
1104 xref: BFO:0000051
1105
1106 [Typedef]
1107 id: is_conjugate_base_of
1108 name: is conjugate base of
1109 inverse_of: is_conjugate_acid_of
1110 is_cyclic: true
1111 is_transitive: false
1112
1113 [Typedef]
1114 id: is_conjugate_acid_of
1115 name: is conjugate acid of
1116 inverse_of: is_conjugate_base_of
1117 is_cyclic: true
1118 is_transitive: false
1119
1120 [Typedef]
1121 id: is_tautomer_of
1122 name: is tautomer of
1123 is_cyclic: true
1124 is_transitive: true
1125
1126 [Typedef]
1127 id: is_enantiomer_of
1128 name: is enantiomer of
1129 is_cyclic: true
1130 is_transitive: false
1131
1132 [Typedef]
1133 id: has_functional_parent
1134 name: has functional parent
1135 is_cyclic: false
1136 is_transitive: false
1137
1138 [Typedef]
1139 id: has_parent_hydride
1140 name: has parent hydride
1141 is_cyclic: false
1142 is_transitive: false
1143
1144 [Typedef]
1145 id: is_substituent_group_from
1146 name: is substituent group from
1147 is_cyclic: false
1148 is_transitive: false
1149
1150 [Typedef]
1151 id: has_role
1152 name: has role
1153 is_cyclic: false
1154 is_transitive: false
1155 xref: RO:0000087