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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: 18.341
- ECL on BP20: 18.184

Non-derivatized:

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.