CHEBI:90772 - 12(S)-HpEPE(1−)

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ChEBI Name 12(S)-HpEPE(1−)
ChEBI ID CHEBI:90772
ChEBI ASCII Name 12(S)-HpEPE(1-)
Definition A 12-HPEPE anion that is the conjugate base of 12(S)-HpEPE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C20H29O4
Net Charge -1
Average Mass 333.443
Monoisotopic Mass 333.20713
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)/p-1/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
InChIKey HDMYXONNVAOHFR-UOLHMMFFSA-M
SMILES C(=C\C\C=C/C=C/[C@H](C/C=C\C/C=C\CC)OO)\CCCC([O-])=O
Roles Classification
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(1-) )
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ChEBI Ontology
Outgoing 12(S)-HpEPE(1−) (CHEBI:90772) has functional parent all-cis-5,8,11,14,17-icosapentaenoate (CHEBI:58562)
12(S)-HpEPE(1−) (CHEBI:90772) is a 12-HPEPE(1−) (CHEBI:78078)
12(S)-HpEPE(1−) (CHEBI:90772) is a hydroperoxyicosapentaenoate (CHEBI:131876)
12(S)-HpEPE(1−) (CHEBI:90772) is conjugate base of 12(S)-HpEPE (CHEBI:90996)
Incoming 12(S)-HpEPE (CHEBI:90996) is conjugate acid of 12(S)-HpEPE(1−) (CHEBI:90772)
IUPAC Name
(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoate
Synonyms Sources
(12S)-hydroperoxy-(5Z,8Z,10E,14Z,17Z)-eicosapentaenoate UniProt
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-eicosapentaenoate SUBMITTER
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-icosapentaenoate ChEBI
(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosapentaenoate ChEBI
Citation Waiting for Citations Type Source
22984144 PubMed citation SUBMITTER
Last Modified
18 July 2023