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CHEBI:136485 - 8(S),15(S)-DiHETE

ChEBI IDCHEBI:136485
ChEBI Name8(S),15(S)-DiHETE
Stars
ASCII Name8(S),15(S)-DiHETE
DefinitionAb 8,15-DiHETE that is derived from (5Z,9E,11Z,13E)-icosatetraenoic acid and has (8S,15S)-stereochemistry.
Last Modified8 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC[C@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
InChIKeyNNPWRKSGORGTIM-HCCKYKKOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
8(S),15(S)-DiHETE (CHEBI:136485) has functional parent arachidonic acid (CHEBI:15843)
8(S),15(S)-DiHETE (CHEBI:136485) has role human xenobiotic metabolite (CHEBI:76967)
8(S),15(S)-DiHETE (CHEBI:136485) has role mouse metabolite (CHEBI:75771)
8(S),15(S)-DiHETE (CHEBI:136485) is a 8,15-DiHETE (CHEBI:88456)
8(S),15(S)-DiHETE (CHEBI:136485) is conjugate acid of 8(S),15(S)-DiHETE(1−) (CHEBI:133903)
Incoming Relation(s)
8(S),15(S)-DiHETE(1−) (CHEBI:133903) is conjugate base of 8(S),15(S)-DiHETE (CHEBI:136485)
IUPAC Name 
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
Synonyms  Source
(8S,15S)-dihydroxy-(5Z,9E,11Z,13E)-eicosatetraenoic acidChEBI
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyicosatetraenoic acidChEBI
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyeicosatetraenoic acidChEBI
(8S,15S)-dihydroxy-(5Z,9E,11Z,13E)-icosatetraenoic acidChEBI
(8S,15S)-DiHETEChEBI
8S,15S-dihydroxy-5Z,9E,11Z,13E-eicosatetraenoic acidLIPID MAPS
Manual XrefsDatabases
LMFA03060050LIPID MAPS
Registry NumbersSources
Reaxys:4699128Reaxys
Citations