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POU-052 / 16:4 n-1 / c6,c9,c12,c15-16:4 |
Names: Methyl (6Z,9Z,12Z)-hexadeca-6,9,12,15-tetraenoate; (6Z,9Z,12Z)-Hexadeca-6,9,12,15-tetraenoic acid methyl ester; (Z,Z,Z)-6,9,12,15-Hexadecatetraenoic acid methyl ester; 6Z,9Z,12Z,15-Hexadecatetraenoic acid methyl ester; cis-6, cis-9, cis-12,15-Hexadecatetraenoic acid methyl ester
Formula: C17H26O2
Molar mass: 262.391 Da
Monoisotopic mass: 262.193 Da
SMILES: C=CC/C=C\C/C=C\C/C=C\CCCCC(=O)OC
InChI Key: FHWDNFIEIFBMRH-AGRJPVHOSA-N
InChI: 1S/C17H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3,5-6,8-9,11-12H,1,4,7,10,13-16H2,2H3/b6-5-,9-8-,12-11-
Typical retention indexes:
- ECL on BPX70: 18.375
- ECL on Wax: 17.711
- ECL on DB225: 17.235
- ECL on 5% phenyl: 15.627
- ECL on SLB-IL61: 17.296
- ECL on SLB-IL82: 18.730
- ECL on SLB-IL100: 19.126
- KI on Wax: 2391
- KI on DB225: 2312
- KI on 5% phenyl: 1889
Names: (6Z,9Z,12Z)-Hexadeca-6,9,12,15-tetraenoic acid; (Z,Z,Z)-6,9,12,15-Hexadecatetraenoic acid; 6Z,9Z,12Z,15-Hexadecatetraenoic acid; cis-6, cis-9, cis-12,15-Hexadecatetraenoic acid
Formula: C16H24O2
Molar mass: 248.364 Da
SMILES: OC(=O)CCCC\C=C/C/C=C\C\C=C/CC=C
InChI Key: OKBAWLHHZWRDBE-YSTUJMKBSA-N
InChI: 1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8,10-11H,1,3,6,9,12-15H2,(H,17,18)/b5-4-,8-7-,11-10-
Lipid Maps code: LMFA01030870
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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. |