www.chrombox.org

DIU-080 / 18:2 n-6 tt / t9,t12-18:2

Names: Methyl (E9,E12)-octadeca-9,12-dienoate;  (E9,E12)-Octadeca-9,12-dienoic acid;  (E,E)-9,12-Octadecadienoic acid;  9E,12E-Octadecadienoic acid;  trans-9, trans-12-Octadecadienoic acid;  Methyl linolelaidate;  Linolelaidic acid methyl ester

Formula: C19H34O2

Molar mass: 294.476 Da

Monoisotopic mass: 294.256 Da

SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC

InChI Key: WTTJVINHCBCLGX-ZDVGBALWSA-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/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+

Typical retention indexes:
- ECL on BPX70: 18.674
- ECL on BP20: 18.689
- ECL on SLB-IL61: 18.337

Non-derivatized:

Names: (E9,E12)-Octadeca-9,12-dienoic acid;  (E,E)-9,12-Octadecadienoic acid;  9E,12E-Octadecadienoic acid;  trans-9, trans-12-Octadecadienoic acid;  Linolelaidic acid

Formula: C18H32O2

Molar mass: 280.450 Da

SMILES: CCCCC\C=C\C\C=C\CCCCCCCC(O)=O

InChI Key: OYHQOLUKZRVURQ-AVQMFFATSA-N

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

Lipid Maps code: LMFA01030123



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.