www.chrombox.org

MOU-322 / 18:1 n-7 t / t11-18:1

Names: Methyl (E)-octadec-11-enoate;  (E)-Octadec-11-enoic acid methyl ester;  (E)-11-Octadecenoic acid methyl ester;  11E-Octadecenoic acid methyl ester;  trans-11-Octadecenoic acid methyl ester;  Methyl vaccenate;  Vaccenic acid methyl ester

Formula: C19H36O2

Molar mass: 296.492 Da

Monoisotopic mass: 296.272 Da

SMILES: CCCCCC/C=C/CCCCCCCCCC(=O)OC

InChI Key: PVVODBCDJBGMJL-CMDGGOBGSA-N

InChI: 1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3/b9-8+

Typical retention indexes:
- ECL on BPX70: 18.301

Non-derivatized:

Names: (E)-Octadec-11-enoic acid;  (E)-11-Octadecenoic acid;  11E-Octadecenoic acid;  trans-11-Octadecenoic acid;  Vaccenic acid

Formula: C18H34O2

Molar mass: 282.465 Da

SMILES: CCCCCC\C=C\CCCCCCCCCC(O)=O

InChI Key: UWHZIFQPPBDJPM-BQYQJAHWSA-N

InChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+

ChEBI code: CHEBI:28727

Lipid Maps code: LMFA01030077



Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen.
Molecular structures are created in Open Babel.