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MOU-455 / 26:1 n-9 / c17-26:1

Names: Methyl (Z)-hexacos-17-enoate;  (Z)-Hexacos-17-enoic acid methyl ester;  (Z)-17-Hexacosenoic acid methyl ester;  17Z-Hexacosenoic acid methyl ester;  cis-17-Hexacosenoic acid methyl ester

Formula: C27H52O2

Molar mass: 408.707 Da

Monoisotopic mass: 408.397 Da

SMILES: CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)OC

InChI Key: DSHNRPQXKAVSOK-KHPPLWFESA-N

InChI: 1S/C27H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h10-11H,3-9,12-26H2,1-2H3/b11-10-

Typical retention indexes:
- ECL on BPX70: 26.410
- ECL on BP20: 26.224
- ECL on SLB-IL61: 26.238
- ECL on SLB-IL82: 26.571
- ECL on SLB-IL100: 26.627

Non-derivatized:

Names: (Z)-Hexacos-17-enoic acid;  (Z)-17-Hexacosenoic acid;  17Z-Hexacosenoic acid;  cis-17-Hexacosenoic acid

Formula: C26H50O2

Molar mass: 394.680 Da

SMILES: CCCCCCCC\C=C/CCCCCCCCCCCCCCCC(O)=O

InChI Key: RQIDQEBURXNDKG-KTKRTIGZSA-N

InChI: 1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h9-10H,2-8,11-25H2,1H3,(H,27,28)/b10-9-

Lipid Maps code: LMFA01030095



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.