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CHEBI:133903 - 8(S),15(S)-DiHETE(1−)

ChEBI IDCHEBI:133903
ChEBI Name8(S),15(S)-DiHETE(1−)
Stars
ASCII Name8(S),15(S)-DiHETE(1-)
DefinitionA DiHETE(1−) that is the conjugate base of 8(S),15(S)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified8 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC20H31O4
Net Charge-1
Average Mass335.464
Monoisotopic Mass335.22278
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)/p-1/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
InChIKeyNNPWRKSGORGTIM-HCCKYKKOSA-M
ChEBI Ontology
Outgoing Relation(s)
8(S),15(S)-DiHETE(1−) (CHEBI:133903) is a dihydroxyicosatetraenoate (CHEBI:131877)
8(S),15(S)-DiHETE(1−) (CHEBI:133903) is a long-chain fatty acid anion (CHEBI:57560)
8(S),15(S)-DiHETE(1−) (CHEBI:133903) is conjugate base of 8(S),15(S)-DiHETE (CHEBI:136485)
Incoming Relation(s)
8(S),15(S)-DiHETE (CHEBI:136485) is conjugate acid of 8(S),15(S)-DiHETE(1−) (CHEBI:133903)
IUPAC Name 
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoate
Synonyms  Source
(8S,15S)-dihydroxy-(5Z,9E,11Z,13E)-icosatetraenoateSUBMITTER
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyeicosatetraenoateChEBI
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyicosatetraenoateChEBI
(8S,15S)-DiHETE(1−)ChEBI
UniProt Name  Source
(8S,15S)-dihydroxy-(5Z,9E,11Z,13E)-eicosatetraenoateUniProt
Citations