CHEBI:63239 - (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
ChEBI ID CHEBI:63239
ChEBI ASCII Name (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
Definition The monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000059211766
Download Molfile XML SDF
Formula C18H29O4
Net Charge -1
Average Mass 309.42050
Monoisotopic Mass 309.20713
InChI InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b4-3-,8-6-,14-11+
InChIKey RWKJTIHNYSIIHW-CUHSZNQNSA-M
SMILES CC\C=C/C\C=C/C=C/C(CCCCCCCC([O-])=O)OO
ChEBI Ontology
Outgoing (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63239) is a hydroperoxyoctadecatrienoate (CHEBI:133558)
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63239) is conjugate base of (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63238)
Incoming (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63241) is a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63239)
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:60962) is a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63239)
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63238) is conjugate acid of (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63239)
IUPAC Name
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
Synonyms Sources
(10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoate ChEBI
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid anion ChEBI
Last Modified
20 February 2017