www.chrombox.org

MOU-098 / 18:1 n-13 / c5-18:1

Names: Methyl (Z)-octadec-5-enoate;  (Z)-Octadec-5-enoic acid methyl ester;  (Z)-5-Octadecenoic acid methyl ester;  5Z-Octadecenoic acid methyl ester;  cis-5-Octadecenoic acid methyl ester

Formula: C19H36O2

Molar mass: 296.492 Da

Monoisotopic mass: 296.272 Da

SMILES: CCCCCCCCCCCC/C=C\CCCC(=O)OC

InChI Key: JZRRJXZLBLHXBZ-PFONDFGASA-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/h14-15H,3-13,16-18H2,1-2H3/b15-14-

Typical retention indexes:
- ECL on BPX70: 18.232
- ECL on SLB-IL82: 18.331
- ECL on SLB-IL100: 18.241

Non-derivatized:

Names: (Z)-Octadec-5-enoic acid;  (Z)-5-Octadecenoic acid;  5Z-Octadecenoic acid;  cis-5-Octadecenoic acid

Formula: C18H34O2

Molar mass: 282.465 Da

SMILES: CCCCCCCCCCCC\C=C/CCCC(O)=O

InChI Key: AQWHMKSIVLSRNY-YPKPFQOOSA-N

InChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13-

Lipid Maps code: LMFA01030296



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.