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13(S)-HPODE methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_78040

A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 13(S)-HPODE with methanol.

Term info

Label

13(S)-HPODE methyl ester

Synonyms
  • methyl (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoate [ IUPAC ]

charge

0

formula

C19H34O4

has obo namespace

chebi_ontology

has related synonym

methyl (9Z,11E,13S)-hydroperoxyoctadecadienoate, 1-O-methyl-(13S)-hydroperoxy-(9Z,11E)-octadecadienoate

id

CHEBI:78040

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

mass

326.47090

monoisotopicmass

326.24571

smiles

CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC(=O)OC