12(S)-HpEPE (CHEBI:90996)

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CHEBI:90996 - 12(S)-HpEPE

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ChEBI ID	CHEBI:90996
ChEBI Name	12(S)-HpEPE
Stars
ASCII Name	12(S)-HpEPE
Definition	A 12-HPEPE in which the hydroperoxy group at positions 12 has S-configuration.
Last Modified	21 January 2016
Submitter	Steve
Downloads	Molfile

Formula	C20H30O4
Net Charge	0
Average Mass	334.456
Monoisotopic Mass	334.21441
SMILES	CC/C=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO
InChI	InChI=1S/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13-14,17,19,23H,2,5-6,12,15-16,18H2,1H3,(H,21,22)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
InChIKey	HDMYXONNVAOHFR-UOLHMMFFSA-N

Roles Classification

Chemical Roles:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). 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.
Application:	platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.

ChEBI Ontology

Outgoing Relation(s)
	12(S)-HpEPE (CHEBI:90996) has role human xenobiotic metabolite (CHEBI:76967)
	12(S)-HpEPE (CHEBI:90996) is a 12-HPEPE (CHEBI:78909)
	12(S)-HpEPE (CHEBI:90996) is conjugate acid of 12(S)-HpEPE(1−) (CHEBI:90772)
Incoming Relation(s)
	12(S)-HpEPE(1−) (CHEBI:90772) is conjugate base of 12(S)-HpEPE (CHEBI:90996)

IUPAC Name
(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoic acid

Synonyms	Source
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-icosapentaenoic acid	ChEBI
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-eicosapentaenoic acid	ChEBI
(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosapentaenoic acid	ChEBI
12S-HpEPE	ChEBI
12S-hydroperoxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid	LIPID MAPS

Manual Xrefs	Databases
LMFA03070012	LIPID MAPS

Citations