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CHEBI:90772 - 12(S)-HpEPE(1−)

ChEBI IDCHEBI:90772
ChEBI Name12(S)-HpEPE(1−)
Stars
ASCII Name12(S)-HpEPE(1-)
DefinitionA 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.
Last Modified18 July 2023
Submitternhn
DownloadsMolfile
FormulaC20H29O4
Net Charge-1
Average Mass333.448
Monoisotopic Mass333.20713
SMILESCC/C=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)[O-])OO
InChIInChI=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
InChIKeyHDMYXONNVAOHFR-UOLHMMFFSA-M
Roles Classification
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(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 Relation(s)
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  Source
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-eicosapentaenoateSUBMITTER
(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosapentaenoateChEBI
(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-icosapentaenoateChEBI
UniProt Name  Source
(12S)-hydroperoxy-(5Z,8Z,10E,14Z,17Z)-eicosapentaenoateUniProt
Citations