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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12(S)-HPE(8,10,14)TrE(1−)
ChEBI ID CHEBI:78047
ChEBI ASCII Name 12(S)-HPE(8,10,14)TrE(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C20H33O4
Net Charge -1
Average Mass 337.47420
Monoisotopic Mass 337.23843
InChI InChI=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
InChIKey CZOASFIZEHMKCK-ONNNWOQGSA-M
SMILES CCCCC\C=C/C[C@H](OO)\C=C\C=C/CCCCCCC([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
(12S)-hydroperoxy-(8Z,10E,14Z)-eicosatrienoate UniProt
(8Z,10E,12S,14Z)-hydroperoxyicosatrienoate SUBMITTER
Last Modified
04 October 2016