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CHEBI:78325 - 13,14-dihydro-15-oxolipoxin A4(1−)

ChEBI IDCHEBI:78325
ChEBI Name13,14-dihydro-15-oxolipoxin A4(1−)
Stars
ASCII Name13,14-dihydro-15-oxolipoxin A4(1-)
DefinitionA hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 13,14-dihydro-15-oxolipoxin A4; major species at pH 7.3.
Last Modified29 July 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H31O5
Net Charge-1
Average Mass351.463
Monoisotopic Mass351.21770
SMILESCCCCCC(=O)CC/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,14-10+/t18-,19+/m1/s1
InChIKeyFPRPRBFSKMFXRV-JWVNNVTNSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
13,14-dihydro-15-oxolipoxin A4(1−) (CHEBI:78325) has role human metabolite (CHEBI:77746)
13,14-dihydro-15-oxolipoxin A4(1−) (CHEBI:78325) is a hydroxy fatty acid anion (CHEBI:59835)
13,14-dihydro-15-oxolipoxin A4(1−) (CHEBI:78325) is a icosanoid anion (CHEBI:62937)
13,14-dihydro-15-oxolipoxin A4(1−) (CHEBI:78325) is a long-chain fatty acid anion (CHEBI:57560)
13,14-dihydro-15-oxolipoxin A4(1−) (CHEBI:78325) is a oxo fatty acid anion (CHEBI:59836)
13,14-dihydro-15-oxolipoxin A4(1−) (CHEBI:78325) is a polyunsaturated fatty acid anion (CHEBI:76567)
13,14-dihydro-15-oxolipoxin A4(1−) (CHEBI:78325) is conjugate base of 13,14-dihydro-15-oxolipoxin A4 (CHEBI:63993)
Incoming Relation(s)
13,14-dihydro-15-oxolipoxin A4 (CHEBI:63993) is conjugate acid of 13,14-dihydro-15-oxolipoxin A4(1−) (CHEBI:78325)
IUPAC Name 
(5S,6R,7E,9E,11Z)-5,6-dihydroxy-15-oxoicosa-7,9,11-trienoate
UniProt Name  Source
15-oxo-(5S,6R)-dihydroxy-(7E,9E,11Z)-eicosatrienoateUniProt