CHEBI:90810 - 5(S),11(R)-DiHETE(1−)

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ChEBI Name 5(S),11(R)-DiHETE(1−)
ChEBI ID CHEBI:90810
ChEBI ASCII Name 5(S),11(R)-DiHETE(1-)
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
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Formula C20H31O4
Net Charge -1
Average Mass 335.459
Monoisotopic Mass 335.22278
InChI InChI=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
InChIKey GVBURXXHWSCJSI-ZZHGHEOFSA-M
SMILES [C@H](CCCC([O-])=O)(/C=C/C=C\C[C@H](/C=C/C=C\CCCCC)O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing 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 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
Synonyms Sources
(5S,11R)-dihydroxy-(6E,8Z,12E,14Z)-eicosatetraenoate UniProt
(5S,6E,8Z,11R,12E,14Z)-5,11-dihydroxyicosatetraenoate ChEBI
Citation Waiting for Citations Type Source
22068350 PubMed citation SUBMITTER
Last Modified
07 March 2017