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CHEBI:78047 - 12(S)-HPE(8,10,14)TrE(1−)

ChEBI IDCHEBI:78047
ChEBI Name12(S)-HPE(8,10,14)TrE(1−)
Stars
ASCII Name12(S)-HPE(8,10,14)TrE(1-)
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HPE(8,10,14)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified4 October 2016
Submitterlaimo
DownloadsMolfile
FormulaC20H33O4
Net Charge-1
Average Mass337.480
Monoisotopic Mass337.23843
SMILESCCCCC/C=C\C[C@@H](/C=C/C=C\CCCCCCC(=O)[O-])OO
InChIInChI=1S/C20H34O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h8,10-11,13-14,17,19,23H,2-7,9,12,15-16,18H2,1H3,(H,21,22)/p-1/b11-8-,13-10-,17-14+/t19-/m0/s1
InChIKeyCZOASFIZEHMKCK-ONNNWOQGSA-M
ChEBI Ontology
Outgoing Relation(s)
12(S)-HPE(8,10,14)TrE(1−) (CHEBI:78047) has functional parent all-cis-icosa-8,11,14-trienoate (CHEBI:71589)
12(S)-HPE(8,10,14)TrE(1−) (CHEBI:78047) is a 12-HPE(8,10,14)TrE(1−) (CHEBI:83334)
12(S)-HPE(8,10,14)TrE(1−) (CHEBI:78047) is conjugate base of 12(S)-HPE(8,10,14)TrE (CHEBI:78860)
Incoming Relation(s)
12(S)-HPE(8,10,14)TrE (CHEBI:78860) is conjugate acid of 12(S)-HPE(8,10,14)TrE(1−) (CHEBI:78047)
IUPAC Name 
(8Z,10E,12S,14Z)-12-hydroperoxyicosa-8,10,14-trienoate
Synonym  Source
(8Z,10E,12S,14Z)-hydroperoxyicosatrienoateSUBMITTER
UniProt Name  Source
(12S)-hydroperoxy-(8Z,10E,14Z)-eicosatrienoateUniProt