|
|
POU-401 / 18:3 NMI / c5,c9,c12-18:3 |
Names: Methyl (5Z,9Z,12Z)-octadeca-5,9,12-trienoate; (5Z,9Z,12Z)-Octadeca-5,9,12-trienoic acid methyl ester; (Z,Z,Z)-5,9,12-Octadecatrienoic acid methyl ester; 5Z,9Z,12Z-Octadecatrienoic acid methyl ester; cis-5, cis-9, cis-12-Octadecatrienoic acid methyl ester; Methyl Pinolenate; Pinolenic acid methyl ester
Formula: C19H32O2
Molar mass: 292.461 Da
Monoisotopic mass: 292.240 Da
SMILES: CCCCC/C=C\C/C=C\CC/C=C\CCCC(=O)OC
InChI Key: UHRQLTPSFITDRF-BYKHLRFOSA-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/h7-8,10-11,14-15H,3-6,9,12-13,16-18H2,1-2H3/b8-7-,11-10-,15-14-
Typical retention indexes:
- ECL on BPX70: 19.331
- ECL on Wax: 18.843
- ECL on 5% phenyl: 17.502
- ECL on Rxi-1: 17.395
- KI on Wax: 2508
- KI on 5% phenyl: 2077
Names: (5Z,9Z,12Z)-Octadeca-5,9,12-trienoic acid; (Z,Z,Z)-5,9,12-Octadecatrienoic acid; 5Z,9Z,12Z-Octadecatrienoic acid; cis-5, cis-9, cis-12-Octadecatrienoic acid; Pinolenic acid
Formula: C18H30O2
Molar mass: 278.434 Da
SMILES: CCCCC\C=C/C/C=C\CC\C=C/CCCC(O)=O
InChI Key: HXQHFNIKBKZGRP-URPRIDOGSA-N
InChI: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,14-13-
Lipid Maps code: LMFA01030344
|
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. |