11(S)-hydroxy-14(S),15(S)-hepoxilin A3 (CHEBI:132886)

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CHEBI:132886 - 11(S)-hydroxy-14(S),15(S)-hepoxilin A₃

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ChEBI ID	CHEBI:132886
ChEBI Name	11(S)-hydroxy-14(S),15(S)-hepoxilin A₃
Stars
ASCII Name	11(S)-hydroxy-14(S),15(S)-hepoxilin A3
Definition	A hepoxilin having (5Z,9E,14Z) double bond stereochemistry, an (11S)-hydroxy substituent and a 14S,15S-epoxy group.
Last Modified	1 August 2016
Submitter	Steve
Downloads	Molfile

Formula	C20H32O4
Net Charge	0
Average Mass	336.472
Monoisotopic Mass	336.23006
SMILES	CCCCC[C@@H]1O[C@H]1/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)O
InChI	InChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18-,19-/m0/s1
InChIKey	WLMZMBKVRPUYIG-CHDPIHKSSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	PubMed (21046276)

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)
	11(S)-hydroxy-14(S),15(S)-hepoxilin A₃ (CHEBI:132886) has role human xenobiotic metabolite (CHEBI:76967)
	11(S)-hydroxy-14(S),15(S)-hepoxilin A₃ (CHEBI:132886) is a epoxy fatty acid (CHEBI:61498)
	11(S)-hydroxy-14(S),15(S)-hepoxilin A₃ (CHEBI:132886) is a hepoxilin (CHEBI:36200)
	11(S)-hydroxy-14(S),15(S)-hepoxilin A₃ (CHEBI:132886) is a hydroxy fatty acid (CHEBI:24654)
	11(S)-hydroxy-14(S),15(S)-hepoxilin A₃ (CHEBI:132886) is a long-chain fatty acid (CHEBI:15904)
	11(S)-hydroxy-14(S),15(S)-hepoxilin A₃ (CHEBI:132886) is a trienoic fatty acid (CHEBI:73155)
	11(S)-hydroxy-14(S),15(S)-hepoxilin A₃ (CHEBI:132886) is conjugate acid of 11(S)-hydroxy-14(S),15(S)-hepoxilin A₃(1−) (CHEBI:132201)
Incoming Relation(s)
Incoming Relation(s)	11(S)-hydroxy-14(S),15(S)-hepoxilin A₃(1−) (CHEBI:132201) is conjugate base of 11(S)-hydroxy-14(S),15(S)-hepoxilin A₃ (CHEBI:132886)

IUPAC Name
(5Z,8Z,11S,12E)-11-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,12-trienoic acid

Synonyms	Source
14(S),15(S)-HxA₃	ChEBI
11(S)-hydroxy-14(S),15(S)-epoxy-5(Z),8(Z),12(E)-eicosatrienoic acid	ChEBI
14(S),15(S)-hepoxilin A₃	ChEBI
11(S)-14,15-HxA₃	ChEBI
11(S)-14,15-hepoxilin A₃	ChEBI
11(S)-hydroxy-14(S),15(S)-epoxy-5(Z),8(Z),12(E)-icosatrienoic acid	ChEBI

Registry Numbers	Sources
Reaxys:22075237	Reaxys

Citations