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POU-051 / 16:4 n-3 / c4,c7,c10,c13-16:4 |
Names: Methyl (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate; (4Z,7Z,10Z,13Z)-Hexadeca-4,7,10,13-tetraenoic acid methyl ester; (Z,Z,Z,Z)-4,7,10,13-Hexadecatetraenoic acid methyl ester; 4Z,7Z,10Z,13Z-Hexadecatetraenoic acid methyl ester; cis-4, cis-7, cis-10, cis-13-Hexadecatetraenoic acid methyl ester
Formula: C17H26O2
Molar mass: 262.391 Da
Monoisotopic mass: 262.193 Da
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC
InChI Key: GRTBKGOZZPTTEE-GJDCDIHCSA-N
InChI: 1S/C17H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-16H2,1-2H3/b5-4-,8-7-,11-10-,14-13-
Typical retention indexes:
- ECL on BPX70: 18.059
- ECL on Wax: 17.552
- ECL on DB225: 17.072
- ECL on 5% phenyl: 15.611
- ECL on SLB-IL61: 16.940
- ECL on SLB-IL82: 18.234
- ECL on SLB-IL100: 18.517
- KI on Wax: 2375
- KI on DB225: 2295
- KI on 5% phenyl: 1887
Names: (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid; (Z,Z,Z,Z)-4,7,10,13-Hexadecatetraenoic acid; 4Z,7Z,10Z,13Z-Hexadecatetraenoic acid; cis-4, cis-7, cis-10, cis-13-Hexadecatetraenoic acid
Formula: C16H24O2
Molar mass: 248.364 Da
SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\CCC(O)=O
InChI Key: IVTCJQZAGWTMBZ-LTKCOYKYSA-N
InChI: 1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-,13-12-
Lipid Maps code: LMFA01030163
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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. |