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CHEBI:78048 - 14(S)-HPDHE(1−)

ChEBI IDCHEBI:78048
ChEBI Name14(S)-HPDHE(1−)
Stars
ASCII Name14(S)-HPDHE(1-)
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of 14(S)-HPDHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified28 October 2019
Submitterlaimo
DownloadsMolfile
FormulaC22H31O4
Net Charge-1
Average Mass359.486
Monoisotopic Mass359.22278
SMILESCC/C=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\CCC(=O)[O-])OO
InChIInChI=1S/C22H32O4/c1-2-3-4-5-12-15-18-21(26-25)19-16-13-10-8-6-7-9-11-14-17-20-22(23)24/h3-4,6-7,10-16,19,21,25H,2,5,8-9,17-18,20H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1
InChIKeyOAGAUECBCOAGOL-OUKOMXQNSA-M
ChEBI Ontology
Outgoing Relation(s)
14(S)-HPDHE(1−) (CHEBI:78048) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016)
14(S)-HPDHE(1−) (CHEBI:78048) is a 14-HPDHE(1−) (CHEBI:83336)
14(S)-HPDHE(1−) (CHEBI:78048) is conjugate base of 14(S)-HPDHE (CHEBI:78861)
Incoming Relation(s)
14(S)-HPDHE (CHEBI:78861) is conjugate acid of 14(S)-HPDHE(1−) (CHEBI:78048)
IUPAC Name 
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-4,7,10,12,16,19-hexaenoate
Synonym  Source
(4Z,7Z,10Z,12E,14S,16Z,19Z)-hydroperoxydocosahexaenoate(1−)SUBMITTER
UniProt Name  Source
(14S)-hydroperoxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoateUniProt