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DIU-169 / CLA (t10,c12) / t10,c12-18:2

Names: Methyl (10E,12Z)-octadeca-10,12-dienoate;  (10E,12Z)-Octadeca-10,12-dienoic acid methyl ester;  (E,Z)-10,12-Octadecadienoic acid methyl ester;  10E,12Z-Octadecadienoic acid methyl ester;  trans-10, cis-12-Octadecadienoic acid methyl ester

Formula: C19H34O2

Molar mass: 294.476 Da

Monoisotopic mass: 294.256 Da

SMILES: CCCCC\C=C/C=C/CCCCCCCCC(=O)OC

InChI Key: KMXSXYSNZMSDFK-UQGDGPGGSA-N

InChI: 1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-10H,3-6,11-18H2,1-2H3/b8-7-,10-9+

Typical retention indexes:
- ECL on BPX70: 20.235
- ECL on BP20: 19.638

Non-derivatized:

Names: (10E,12Z)-Octadeca-10,12-dienoic acid;  (E,Z)-10,12-Octadecadienoic acid;  10E,12Z-Octadecadienoic acid;  trans-10, cis-12-Octadecadienoic acid

Formula: C18H32O2

Molar mass: 280.450 Da

SMILES: CCCCC\C=C/C=C/CCCCCCCCC(O)=O

InChI Key: GKJZMAHZJGSBKD-NMMTYZSQSA-N

InChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+

ChEBI code: CHEBI:44526

Lipid Maps code: LMFA01030125



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.