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POU-498 / 18:3 n-3 ctt / c9,t12,t15-18:3 |
Names: Methyl (9Z,12E,15E)-octadeca-9,12,15-trienoate; (9Z,12E,15E)-Octadeca-9,12,15-trienoic acid methyl ester; (Z,E,E)-9,12,15-Octadecatrienoic acid methyl ester; 9Z,12E,15E-Octadecatrienoic acid methyl ester; cis-9, trans-12, trans-15-Octadecatrienoic acid methyl ester
Formula: C19H32O2
Molar mass: 292.461 Da
Monoisotopic mass: 292.240 Da
SMILES: CC\C=C\C\C=C\C/C=C\CCCCCCCC(=O)OC
InChI Key: DVWSXZIHSUZZKJ-GVNKBMKVSA-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/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4+,8-7+,11-10-
Typical retention indexes:
- ECL on Wax: 19.330
- KI on Wax: 2557
Names: (9Z,12E,15E)-Octadeca-9,12,15-trienoic acid; (Z,E,E)-9,12,15-Octadecatrienoic acid; 9Z,12E,15E-Octadecatrienoic acid; cis-9, trans-12, trans-15-Octadecatrienoic acid
Formula: C18H30O2
Molar mass: 278.434 Da
SMILES: CC\C=C\C\C=C\C\C=C/CCCCCCCC(O)=O
InChI Key: DTOSIQBPPRVQHS-KYNNUBNZSA-N
InChI: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9-
Lipid Maps code: LMFA01030351
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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. |