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CHEBI:136500 - 14(R),15(S)-DiHETE

ChEBI IDCHEBI:136500
ChEBI Name14(R),15(S)-DiHETE
Stars
ASCII Name14(R),15(S)-DiHETE
DefinitionA DiHETE that is (5Z,8Z,10E,12E)-icosatetraenoic acid carrying two hydroxy substituents at positions 14 and 15 (the 14R,15S-stereoisomer).
Last Modified8 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC[C@H](O)[C@H](O)/C=C/C=C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-10,13,16,18-19,21-22H,2-3,5,11-12,14-15,17H2,1H3,(H,23,24)/b6-4-,9-7-,10-8+,16-13+/t18-,19+/m0/s1
InChIKeyRFCYXKNVYQOCTM-PEPUZGFWSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (8334154)
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)
14(R),15(S)-DiHETE (CHEBI:136500) has role human xenobiotic metabolite (CHEBI:76967)
14(R),15(S)-DiHETE (CHEBI:136500) is a dihydroxyicosatetraenoic acid (CHEBI:72868)
14(R),15(S)-DiHETE (CHEBI:136500) is conjugate acid of 14(R),15(S)-DiHETE(1−) (CHEBI:133916)
Incoming Relation(s)
14(R),15(S)-DiHETE(1−) (CHEBI:133916) is conjugate base of 14(R),15(S)-DiHETE (CHEBI:136500)
IUPAC Name 
(5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyicosa-5,8,10,12-tetraenoic acid
Synonyms  Source
(5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyeicosatetraenoic acidChEBI
(5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyicosatetraenoic acidChEBI
(14R,15S)-dihydroxy-(5Z,8Z,10E,12E)-eicosatetraenoic acidChEBI
(14R,15S)-dihydroxy-(5Z,8Z,10E,12E)-icosatetraenoic acidChEBI
(14R,15S)-DiHETEChEBI
Registry NumbersSources
Reaxys:4704842Reaxys
Citations