|
|
MOU-425 / 18:1 n-6 t / t12-18:1 |
Names: Methyl octadec-12-enoate; (E)-Octadec-12-enoic acid; (E)-12-Octadecenoic acid; 12E-Octadecenoic acid; trans-12-Octadecenoic acid
Formula: C19H36O2
Molar mass: 296.492 Da
Monoisotopic mass: 296.272 Da
SMILES: CCCCC/C=C/CCCCCCCCCCC(=O)OC
InChI Key: LMWAESDDOGRMOK-BQYQJAHWSA-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/h7-8H,3-6,9-18H2,1-2H3/b8-7+
Typical retention indexes:
- ECL on BPX70: 18.332
Names: (E)-Octadec-12-enoic acid; (E)-12-Octadecenoic acid; 12E-Octadecenoic acid; trans-12-Octadecenoic acid
Formula: C18H34O2
Molar mass: 282.465 Da
SMILES: CCCCC\C=C\CCCCCCCCCCC(O)=O
InChI Key: OXEDXHIBHVMDST-VOTSOKGWSA-N
InChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,8-17H2,1H3,(H,19,20)/b7-6+
Lipid Maps code: LMFA01030079
|
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. |