EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79199 - 13,14-dihydrolipoxin A4

ChEBI IDCHEBI:79199
ChEBI Name13,14-dihydrolipoxin A4
Stars
ASCII Name13,14-dihydrolipoxin A4
DefinitionA trienoic fatty acid obtained by formal hydrogenation across the 13,14-double bond of lipoxin A4.
Last Modified5 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
SMILESCCCCC[C@H](O)CC/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H34O5/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/h4-7,10,14,17-19,21-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t17-,18+,19-/m0/s1
InChIKeyWRFBDEURXXFJRY-ZREXUFMBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
13,14-dihydrolipoxin A4 (CHEBI:79199) has role human metabolite (CHEBI:77746)
13,14-dihydrolipoxin A4 (CHEBI:79199) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
13,14-dihydrolipoxin A4 (CHEBI:79199) is a icosanoid (CHEBI:23899)
13,14-dihydrolipoxin A4 (CHEBI:79199) is a long-chain fatty acid (CHEBI:15904)
13,14-dihydrolipoxin A4 (CHEBI:79199) is a trienoic fatty acid (CHEBI:73155)
IUPAC Name 
(5S,6R,7E,9E,11Z,15S)-5,6,15-trihydroxyicosa-7,9,11-trienoic acid
Synonym  Source
(5S,6R,15S)-Trihydroxy-(7E,9E,11Z)-Eicosatrienoic acidHMDB
Manual XrefsDatabases
HMDB0012563HMDB