EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:78040
ChEBI Name13(S)-HPODE methyl ester
Stars
ASCII Name13(S)-HPODE methyl ester
DefinitionA fatty acid methyl ester resulting from the formal condensation of the carboxy group of 13(S)-HPODE with methanol.
Last Modified28 October 2019
Submitterlaimo
DownloadsMolfile
FormulaC19H34O4
Net Charge0
Average Mass326.477
Monoisotopic Mass326.24571
SMILESCCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)OC)OO
InChIInChI=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
InChIKeyWWBBEXJQOOTEIL-QGWXGPBYSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Synonym  Source
methyl (9Z,11E,13S)-hydroperoxyoctadecadienoateSUBMITTER
UniProt Name  Source
1-O-methyl-(13S)-hydroperoxy-(9Z,11E)-octadecadienoateUniProt
Registry NumbersSources
Reaxys:3555053Reaxys