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CHEBI:91286 - 5(S),15(S)-DiHETE

ChEBI IDCHEBI:91286
ChEBI Name5(S),15(S)-DiHETE
Stars
ASCII Name5(S),15(S)-DiHETE
DefinitionA DiHETE that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 15S-positions.
Last Modified22 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
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)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1
InChIKeyUXGXCGPWGSUMNI-BVHTXILBSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (6806263)
Homo sapiens (ncbitaxon:9606) - PubMed (22068350)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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 (CHEBI:91286) has role human xenobiotic metabolite (CHEBI:76967)
5(S),15(S)-DiHETE (CHEBI:91286) has role rat metabolite (CHEBI:86264)
5(S),15(S)-DiHETE (CHEBI:91286) is a dihydroxyicosatetraenoic acid (CHEBI:72868)
5(S),15(S)-DiHETE (CHEBI:91286) is conjugate acid of 5(S),15(S)-DiHETE(1−) (CHEBI:90813)
Incoming Relation(s)
5(S),15(S)-DiHETE(1−) (CHEBI:90813) is conjugate base of 5(S),15(S)-DiHETE (CHEBI:91286)
IUPAC Name 
(5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoic acid
Synonyms  Source
(5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosatetraenoic acidChEBI
(5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoic acidChEBI
(5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-icosatetraenoic acidChEBI
5S,15S-DiHETELIPID MAPS
5S,15S-dihydroxy-6E,8Z,11Z,13E-eicosatetraenoic acidLIPID MAPS
5,15-DiHETEHMDB
Manual XrefsDatabases
LMFA03060010LIPID MAPS
HMDB0010216HMDB
Registry NumbersSources
Reaxys:4472597Reaxys
CAS:82200-87-1ChemIDplus
Citations