CHEBI:78040 - 13(S)-HPODE methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 13(S)-HPODE methyl ester
ChEBI ID CHEBI:78040
ChEBI ASCII Name 13(S)-HPODE methyl ester
Definition A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 13(S)-HPODE with methanol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C19H34O4
Net Charge 0
Average Mass 326.47090
Monoisotopic Mass 326.24571
InChI InChI=1S/C19H34O4/c1-3-4-12-15-18(23-21)16-13-10-8-6-5-7-9-11-14-17-19(20)22-2/h8,10,13,16,18,21H,3-7,9,11-12,14-15,17H2,1-2H3/b10-8-,16-13+/t18-/m0/s1
InChIKey WWBBEXJQOOTEIL-QGWXGPBYSA-N
SMILES CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC(=O)OC
ChEBI Ontology
Outgoing 13(S)-HPODE methyl ester (CHEBI:78040) has functional parent 13(S)-HPODE (CHEBI:15655)
13(S)-HPODE methyl ester (CHEBI:78040) has functional parent methyl linoleate (CHEBI:69080)
13(S)-HPODE methyl ester (CHEBI:78040) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name
methyl (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoate
Synonyms Sources
1-O-methyl-(13S)-hydroperoxy-(9Z,11E)-octadecadienoate UniProt
methyl (9Z,11E,13S)-hydroperoxyoctadecadienoate SUBMITTER
Registry Number Type Source
3555053 Reaxys Registry Number Reaxys
Last Modified
28 October 2019