CHEBI:83336 - 14-HPDHE(1−)

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ChEBI Name 14-HPDHE(1−)
ChEBI ID CHEBI:83336
ChEBI ASCII Name 14-HPDHE(1-)
Definition A polyunsaturated fatty acid anion that is the conjugate base of 14-HPDHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C22H31O4
Net Charge -1
Average Mass 359.47970
Monoisotopic Mass 359.22278
InChI InChI=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+
InChIKey OAGAUECBCOAGOL-BGKMTWLOSA-M
SMILES CC\C=C/C\C=C/CC(OO)\C=C\C=C/C\C=C/C\C=C/CCC([O-])=O
ChEBI Ontology
Outgoing 14-HPDHE(1−) (CHEBI:83336) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016)
14-HPDHE(1−) (CHEBI:83336) is a hydroperoxydocosahexaenoate (CHEBI:131868)
14-HPDHE(1−) (CHEBI:83336) is conjugate base of 14-HPDHE (CHEBI:84177)
Incoming 14(S)-HPDHE(1−) (CHEBI:78048) is a 14-HPDHE(1−) (CHEBI:83336)
14-HPDHE (CHEBI:84177) is conjugate acid of 14-HPDHE(1−) (CHEBI:83336)
IUPAC Name
(4Z,7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosa-4,7,10,12,16,19-hexaenoate
Synonyms Sources
(4Z,7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosahexaenoate(1−) SUBMITTER
14-HPD(4,7,10,12,16,19)HE(1−) ChEBI
14-hydroperoxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate UniProt
Last Modified
06 April 2022