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MOU-097 / 20:1 n-11 / c9-20:1 |
Names: Methyl (Z)-icos-9-enoate; (Z)-Icos-9-enoic acid methyl ester; (Z)-9-Icosenoic acid methyl ester; 9Z-Icosenoic acid methyl ester; cis-9-Icosenoic acid methyl ester; Methyl (Z)-eicos-9-enoate; (Z)-Eicos-9-enoic acid methyl ester; (Z)-9-Eicosenoic acid methyl ester; 9Z-Eicosenoic acid methyl ester; cis-9-Eicosenoic acid methyl ester; Gadoleic acid methyl ester
Formula: C21H40O2
Molar mass: 324.546 Da
Monoisotopic mass: 324.303 Da
SMILES: CCCCCCCCCC/C=C\CCCCCCCC(=O)OC
InChI Key: XEJYCWVISZMIDA-SEYXRHQNSA-N
InChI: 1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h12-13H,3-11,14-20H2,1-2H3/b13-12-
Typical retention indexes:
- ECL on BPX70: 20.323
- ECL on Wax: 20.144
- ECL on 5% phenyl: 19.697
- ECL on SLB-IL61: 20.092
- ECL on SLB-IL82: 20.406
- ECL on SLB-IL100: 20.511
- KI on Wax: 2641
- KI on 5% phenyl: 2298
Names: (Z)-Icos-9-enoic acid; (Z)-9-Icosenoic acid; 9Z-Icosenoic acid; cis-9-Icosenoic acid; (Z)-Eicos-9-enoic acid; (Z)-9-Eicosenoic acid; 9Z-Eicosenoic acid; cis-9-Eicosenoic acid; Gadoleic acid
Formula: C20H38O2
Molar mass: 310.519 Da
SMILES: CCCCCCCCCC\C=C/CCCCCCCC(O)=O
InChI Key: LQJBNNIYVWPHFW-QXMHVHEDSA-N
InChI: 1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-
ChEBI code: CHEBI:32419
Lipid Maps code: LMFA01030084
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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. |