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MOU-455 / 26:1 n-9 / c17-26:1 |
Names: Methyl (Z)-hexacos-17-enoate; (Z)-Hexacos-17-enoic acid methyl ester; (Z)-17-Hexacosenoic acid methyl ester; 17Z-Hexacosenoic acid methyl ester; cis-17-Hexacosenoic acid methyl ester
Formula: C27H52O2
Molar mass: 408.707 Da
Monoisotopic mass: 408.397 Da
SMILES: CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)OC
InChI Key: DSHNRPQXKAVSOK-KHPPLWFESA-N
InChI: 1S/C27H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h10-11H,3-9,12-26H2,1-2H3/b11-10-
Typical retention indexes:
- ECL on BPX70: 26.413
- ECL on Wax: 26.230
- ECL on 5% phenyl: 25.758
- ECL on SLB-IL61: 26.238
- ECL on SLB-IL82: 26.571
- ECL on SLB-IL100: 26.627
- KI on 5% phenyl: 2909
Names: (Z)-Hexacos-17-enoic acid; (Z)-17-Hexacosenoic acid; 17Z-Hexacosenoic acid; cis-17-Hexacosenoic acid
Formula: C26H50O2
Molar mass: 394.680 Da
SMILES: CCCCCCCC\C=C/CCCCCCCCCCCCCCCC(O)=O
InChI Key: RQIDQEBURXNDKG-KTKRTIGZSA-N
InChI: 1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h9-10H,2-8,11-25H2,1H3,(H,27,28)/b10-9-
Lipid Maps code: LMFA01030095
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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. |