CHEBI:140279 - (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoate
ChEBI ID CHEBI:140279
ChEBI ASCII Name (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoate
Definition A docosanoid anion that is the conjugate base of (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H31O4
Net Charge -1
Average Mass 359.480
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/h3-4,6,8,10-16,19,21,25H,2,5,7,9,17-18,20H2,1H3,(H,23,24)/p-1/b4-3-,8-6+,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1
InChIKey QEAQJVYOZNBPLR-KSJZJIFISA-M
SMILES [O-]C(CC/C=C\CC/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)=O
ChEBI Ontology
Outgoing (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoate (CHEBI:140279) is a hydroperoxydocosahexaenoate (CHEBI:131868)
(4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoate (CHEBI:140279) is conjugate base of (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoic acid (CHEBI:140220)
Incoming (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoic acid (CHEBI:140220) is conjugate acid of (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoate (CHEBI:140279)
IUPAC Name
(4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-4,8,10,12,16,19-hexaenoate
Synonym Source
14(S)-HpDHA(1−) ChEBI
Last Modified
06 April 2022