|
|
POU-307 / 18:3 n-7 / 5,8,11-18:3 |
Names: Methyl (5Z,8Z,11Z)-octadeca-5,8,11-trienoate; (5Z,8Z,11Z)-Octadeca-5,8,11-trienoic acid methyl ester; (Z,Z,Z)-5,8,11-Octadecatrienoic acid methyl ester; 5Z,8Z,11Z-Octadecatrienoic acid methyl ester; cis-5, cis-8, cis-11-Octadecatrienoic acid methyl ester
Formula: C19H32O2
Molar mass: 292.461 Da
Monoisotopic mass: 292.240 Da
SMILES: CCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC
InChI Key: MHSGCRGWWYHMLZ-ORZIMQNZSA-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/h8-9,11-12,14-15H,3-7,10,13,16-18H2,1-2H3/b9-8-,12-11-,15-14-
Typical retention indexes:
- ECL on BPX70: 19.260
- ECL on Wax: 18.793
- ECL on DB225: 18.562
- ECL on 5% phenyl: 17.444
- KI on Wax: 2502
- KI on DB225: 2449
- KI on 5% phenyl: 2071
Names: (5Z,8Z,11Z)-Octadeca-5,8,11-trienoic acid; (Z,Z,Z)-5,8,11-Octadecatrienoic acid; 5Z,8Z,11Z-Octadecatrienoic acid; cis-5, cis-8, cis-11-Octadecatrienoic
Formula: C18H30O2
Molar mass: 278.434 Da
SMILES: CCCCCC\C=C/C/C=C\C\C=C/CCCC(O)=O
InChI Key: OQKSACYFUKAOOJ-JPFHKJGASA-N
InChI: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,10-11,13-14H,2-6,9,12,15-17H2,1H3,(H,19,20)/b8-7-,11-10-,14-13-
Lipid Maps code: LMFA01031353
|
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. |