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POU-049 / 16:3 n-3 / c7,c10,c13-16:3 |
Names: Methyl (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate; (7Z,10Z,13Z)-Hexadeca-7,10,13-trienoic acid methyl ester; (Z,Z,Z)-7,10,13-Hexadecatrienoic acid methyl ester; 7Z,10Z,13Z-Hexadecatrienoic acid methyl ester; cis-7, cis-10, cis-13-Hexadecatrienoic acid methyl ester
Formula: C17H28O2
Molar mass: 264.407 Da
Monoisotopic mass: 264.209 Da
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCC(=O)OC
InChI Key: DUOCBVNCDAEWTB-YSTUJMKBSA-N
InChI: 1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11H,3,6,9,12-16H2,1-2H3/b5-4-,8-7-,11-10-
Typical retention indexes:
- ECL on BPX70: 17.799
- ECL on Wax: 17.275
- ECL on DB225: 16.984
- ECL on 5% phenyl: 15.746
- ECL on SLB-IL100: 18.379
- KI on Wax: 2347
- KI on DB225: 2286
- KI on 5% phenyl: 1901
Names: (7Z,10Z,13Z)-hexadeca-7,10,13-trienoic acid; (Z,Z,Z)-7,10,13-Hexadecatrienoic acid; 7Z,10Z,13Z-Hexadecatrienoic acid; cis-7, cis-10, cis-13-Hexadecatrienoic acid
Formula: C16H26O2
Molar mass: 250.380 Da
SMILES: CC\C=C/C/C=C\C\C=C/CCCCCC(O)=O
InChI Key: KBGYPXOSNDMZRV-PDBXOOCHSA-N
InChI: 1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-
Lipid Maps code: LMFA01030138
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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. |