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POU-967 / 18:3 NMI / t3,c9,c12-18:3 |
Names: Methyl (3E,9Z,12Z)-Octadeca-3,9,12-trienoate; (3E,9Z,12Z)-Octadeca-3,9,12-trienoic acid methyl ester; (E,Z,Z)-3,9,12-Octadecatrienoic acid methyl ester; 3E,9Z,12Z-Octadecatrienoic acid methyl ester; trans-3,cis-9,cis-12-Octadecatrienoic acid methyl ester
Formula: C19H32O2
Molar mass: 292.461 Da
Monoisotopic mass: 292.240 Da
SMILES: CCCCC/C=C\C/C=C\CCCC/C=C/CC(=O)OC
InChI Key: YIBMJQICEPWMPO-YPIVHUJKSA-N
InChI: 1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,16-17H,3-6,9,12-15,18H2,1-2H3/b8-7-,11-10-,17-16+
Typical retention indexes:
- ECL on BPX70: 19.481
- ECL on Wax: 19.217
- ECL on Rxi-1: 17.552
- KI on Wax: 2546
Names: (3E,9Z,12Z)-octadeca-3,9,12-trienoic acid; (E,Z,Z)-3,9,12-Octadecatrienoic acid methyl ester; 3E,9Z,12Z-Octadecatrienoic acid methyl ester; trans-3,cis-9,cis-12-Octadecatrienoic acid methyl ester
Formula: C18H30O2
Molar mass: 278.434 Da
SMILES: CCCCC\C=C/C/C=C\CCCC\C=C\CC(O)=O
InChI Key: FEWFGHQMEYATJR-XTEDJDMISA-N
InChI: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,15-16H,2-5,8,11-14,17H2,1H3,(H,19,20)/b7-6-,10-9-,16-15+
Lipid Maps code: LMFA01030140
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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. |