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MOU-298 / 18:1 n-12 / c6-18:1 |
Names: Methyl (Z)-octadec-6-enoate; (Z)-Octadec-6-enoic acid methyl ester; (Z)-6-Octadecenoic acid methyl ester; 6Z-Octadecenoic acid methyl ester; cis-6-Octadecenoic acid methyl ester; Methyl petroselate; Petroselinic acid methyl ester
Formula: C19H36O2
Molar mass: 296.492 Da
Monoisotopic mass: 296.272 Da
SMILES: CCCCCCCCCCC/C=C\CCCCC(=O)OC
InChI Key: QRTVDKVXAFJVRU-YPKPFQOOSA-N
InChI: 1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13-
Typical retention indexes:
- ECL on BPX70: 18.340
- ECL on Wax: 18.184
- KI on Wax: 2440
Names: (Z)-Octadec-6-enoic acid; (Z)-6-Octadecenoic acid; 6Z-Octadecenoic acid; cis-6-Octadecenoic acid; Petroselinic acid
Formula: C18H34O2
Molar mass: 282.465 Da
SMILES: CCCCCCCCCCC\C=C/CCCCC(O)=O
InChI Key: CNVZJPUDSLNTQU-SEYXRHQNSA-N
InChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
ChEBI code: CHEBI:28194
Lipid Maps code: LMFA01030066
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. |