CHEBI:90996 - 12(S)-HpEPE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12(S)-HpEPE
ChEBI ID CHEBI:90996
ChEBI ASCII Name 12(S)-HpEPE
Definition A 12-HPEPE in which the hydroperoxy group at positions 12 has S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H30O4
Net Charge 0
Average Mass 334.451
Monoisotopic Mass 334.21441
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
SMILES C(=C\C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)\CCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application(s): 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.
(via 12-HPEPE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-eicosapentaenoic acid ChEBI
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-icosapentaenoic 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 Xref Database
LMFA03070012 LIPID MAPS
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Citations Waiting for Citations Types Sources
22984144 PubMed citation Europe PMC
3012585 PubMed citation Europe PMC
Last Modified
21 January 2016