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MOU-259 / 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 BP20: 20.292

Non-derivatized:

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



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.