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CHEBI:91136 - 5(S),11(R)-DiHETE

ChEBI IDCHEBI:91136
ChEBI Name5(S),11(R)-DiHETE
Stars
ASCII Name5(S),11(R)-DiHETE
DefinitionA DiHETE that is (6E,8Z,12E,14Z)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 11R-positions.
Last Modified10 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
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)/b7-6-,10-8-,13-9+,15-11+/t18-,19+/m0/s1
InChIKeyGVBURXXHWSCJSI-ZZHGHEOFSA-N
Species of MetaboliteComponentSourceComments
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 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 (CHEBI:91136) has role human xenobiotic metabolite (CHEBI:76967)
5(S),11(R)-DiHETE (CHEBI:91136) is a dihydroxyicosatetraenoic acid (CHEBI:72868)
5(S),11(R)-DiHETE (CHEBI:91136) is conjugate acid of 5(S),11(R)-DiHETE(1−) (CHEBI:90810)
Incoming Relation(s)
5(S),11(R)-DiHETE(1−) (CHEBI:90810) is conjugate base of 5(S),11(R)-DiHETE (CHEBI:91136)
IUPAC Name 
(5S,6E,8Z,11R,12E,14Z)-5,11-dihydroxyicosa-6,8,12,14-tetraenoic acid
Synonyms  Source
(5S,6E,8Z,11R,12E,14Z)-5,11-dihydroxyicosatetraenoic acidChEBI
5S,11R-dihydroxy-6E,8Z,12E,14Z-eicosatetraenoic acidLIPID MAPS
5,11-diHETELIPID MAPS
5S,11R-DiHETELIPID MAPS
Manual XrefsDatabases
LMFA03060095LIPID MAPS
Registry NumbersSources
Reaxys:20544176Reaxys
Citations