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CHEBI:90813 - 5(S),15(S)-DiHETE(1−)

ChEBI IDCHEBI:90813
ChEBI Name5(S),15(S)-DiHETE(1−)
Stars
ASCII Name5(S),15(S)-DiHETE(1-)
DefinitionAn icosanoid anion that is the conjugate base of 5(S),15(S)-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified3 October 2016
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H31O4
Net Charge-1
Average Mass335.464
Monoisotopic Mass335.22278
SMILESCCCCC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1
InChIKeyUXGXCGPWGSUMNI-BVHTXILBSA-M
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (6806263)
Homo sapiens (ncbitaxon:9606) - PubMed (22068350)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
5(S),15(S)-DiHETE(1−) (CHEBI:90813) has role human xenobiotic metabolite (CHEBI:76967)
5(S),15(S)-DiHETE(1−) (CHEBI:90813) has role rat metabolite (CHEBI:86264)
5(S),15(S)-DiHETE(1−) (CHEBI:90813) is a dihydroxyicosatetraenoate (CHEBI:131877)
5(S),15(S)-DiHETE(1−) (CHEBI:90813) is a hydroxy fatty acid anion (CHEBI:59835)
5(S),15(S)-DiHETE(1−) (CHEBI:90813) is a icosanoid anion (CHEBI:62937)
5(S),15(S)-DiHETE(1−) (CHEBI:90813) is a long-chain fatty acid anion (CHEBI:57560)
5(S),15(S)-DiHETE(1−) (CHEBI:90813) is a polyunsaturated fatty acid anion (CHEBI:76567)
5(S),15(S)-DiHETE(1−) (CHEBI:90813) is conjugate base of 5(S),15(S)-DiHETE (CHEBI:91286)
Incoming Relation(s)
5(S),15(S)-DiHETE (CHEBI:91286) is conjugate acid of 5(S),15(S)-DiHETE(1−) (CHEBI:90813)
IUPAC Name 
(5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoate
Synonyms  Source
(5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosatetraenoateChEBI
(5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoateChEBI
(5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-icosatetraenoateChEBI
UniProt Name  Source
(5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoateUniProt