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POU-046 / 16:3 n-4 / c6,c9,c12-16:3 |
Names: Methyl (6Z,9Z,12Z)-hexadeca-6,9,12-trienoate; (6Z,9Z,12Z)-Hexadeca-6,9,12-trienoic acid methyl ester; (Z,Z,Z)-6,9,12-Hexadecatrienoic acid methyl ester; 6Z,9Z,12Z-Hexadecatrienoic acid methyl ester; cis-6, cis-9, cis-12-Hexadecatrienoic acid methyl ester
Formula: C17H28O2
Molar mass: 264.407 Da
Monoisotopic mass: 264.209 Da
SMILES: CCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC
InChI Key: WLXWGAMHBLPVNB-AGRJPVHOSA-N
InChI: 1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h5-6,8-9,11-12H,3-4,7,10,13-16H2,1-2H3/b6-5-,9-8-,12-11-
Typical retention indexes:
- ECL on BPX70: 17.708
- ECL on Wax: 17.161
- ECL on DB225: 16.904
- ECL on 5% phenyl: 15.686
- ECL on SLB-IL61: 16.864
- ECL on SLB-IL82: 17.909
- ECL on SLB-IL100: 18.216
- KI on Wax: 2335
- KI on DB225: 2278
- KI on 5% phenyl: 1895
Names: (6Z,9Z,12Z)-Hexadeca-6,9,12-trienoic acid; (Z,Z,Z)-6,9,12-Hexadecatrienoic acid; 6Z,9Z,12Z-Hexadecatrienoic acid; cis-6, cis-9, cis-12-Hexadecatrienoic acid
Formula: C16H26O2
Molar mass: 250.380 Da
SMILES: CCC\C=C/C/C=C\C\C=C/CCCCC(O)=O
InChI Key: SBEXLJDCZSJDLW-YSTUJMKBSA-N
InChI: 1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)/b5-4-,8-7-,11-10-
Lipid Maps code: LMFA01030869
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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. |