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POU-966 / 18:3 NMI / t5,c9,c12-18:3 |
Names: Methyl (5E,9Z,12Z)-octadeca-9,12,15-trienoate; (5E,9Z,12Z)-Octadeca-5,9,12-trienoic acid methyl ester; (E,Z,Z)-9,12,15-Octadecatrienoic acid methyl ester; 9E,12Z,15Z-Octadecatrienoic acid methyl ester; trans-9,cis-12,cis-15-Octadecatrienoic acid methyl ester; Columbinic 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-AXERUTLSSA-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: 19.230
- ECL on Wax: 18.902
- ECL on 5% phenyl: 17.549
- ECL on Rxi-1: 17.447
- KI on Wax: 2514
- KI on 5% phenyl: 2082
Names: (5E,9Z,12Z)-octadeca-5,9,12-trienoic acid; (E,Z,Z)-9,12,15-Octadecatrienoic acid; 9E,12Z,15Z-Octadecatrienoic acid; trans-9,cis-12,cis-15-Octadecatrienoic acid; Columbinic acid
Formula: C18H30O2
Molar mass: 278.434 Da
SMILES: CCCCC\C=C/C/C=C\CC\C=C\CCCC(O)=O
InChI Key: HXQHFNIKBKZGRP-OXXZWVFOSA-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: LMFA01030815
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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. |