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CHEBI:90810 - 5(S),11(R)-DiHETE(1−)

ChEBI IDCHEBI:90810
ChEBI Name5(S),11(R)-DiHETE(1−)
Stars
ASCII Name5(S),11(R)-DiHETE(1-)
DefinitionAn icosanoid anion that is the conjugate base of 5(S),11(R)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified7 March 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H31O4
Net Charge-1
Average Mass335.464
Monoisotopic Mass335.22278
SMILESCCCCC/C=C\C=C\[C@H](O)C/C=C\C=C\[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-9-13-18(21)14-10-8-11-15-19(22)16-12-17-20(23)24/h6-11,13,15,18-19,21-22H,2-5,12,14,16-17H2,1H3,(H,23,24)/p-1/b7-6-,10-8-,13-9+,15-11+/t18-,19+/m0/s1
InChIKeyGVBURXXHWSCJSI-ZZHGHEOFSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (22068350)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
5(S),11(R)-DiHETE(1−) (CHEBI:90810) has role human xenobiotic metabolite (CHEBI:76967)
5(S),11(R)-DiHETE(1−) (CHEBI:90810) is a dihydroxyicosatetraenoate (CHEBI:131877)
5(S),11(R)-DiHETE(1−) (CHEBI:90810) is a long-chain fatty acid anion (CHEBI:57560)
5(S),11(R)-DiHETE(1−) (CHEBI:90810) is conjugate base of 5(S),11(R)-DiHETE (CHEBI:91136)
Incoming Relation(s)
5(S),11(R)-DiHETE (CHEBI:91136) is conjugate acid of 5(S),11(R)-DiHETE(1−) (CHEBI:90810)
IUPAC Name 
(5S,6E,8Z,11R,12E,14Z)-5,11-dihydroxyicosa-6,8,12,14-tetraenoate
Synonym  Source
(5S,6E,8Z,11R,12E,14Z)-5,11-dihydroxyicosatetraenoateChEBI
UniProt Name  Source
(5S,11R)-dihydroxy-(6E,8Z,12E,14Z)-eicosatetraenoateUniProt
Citations