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POU-062 / 22:3 n-3 / c13,c16,c19-22:3 |
Names: Methyl (13Z,16Z,19Z)-docosa-13,16,19-trienoate; (13Z,16Z,19Z)-Docosa-13,16,19-trienoic acid methyl ester; (Z,Z,Z)-13,16,19-Docosatrienoic acid methyl ester; 13Z,16Z,19Z-Docosatrienoic acid methyl ester; cis-13, cis-16, cis-19-Docosatrienoic acid methyl ester
Formula: C23H40O2
Molar mass: 348.568 Da
Monoisotopic mass: 348.303 Da
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC
InChI Key: RXNIYBHTXVTSAK-YSTUJMKBSA-N
InChI: 1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11H,3,6,9,12-22H2,1-2H3/b5-4-,8-7-,11-10-
Typical retention indexes:
- ECL on BPX70: 23.874
- ECL on Wax: 23.332
- ECL on 5% phenyl: 21.777
- ECL on Rxi-1: 21.656
- ECL on SLB-IL82: 24.331
- KI on Wax: 2970
- KI on 5% phenyl: 2508
Names: (13Z,16Z,19Z)-Docosa-13,16,19-trienoic acid; (Z,Z,Z)-13,16,19-Docosatrienoic acid; 13Z,16Z,19Z-Docosatrienoic acid; cis-13, cis-16, cis-19-Docosatrienoic acid
Formula: C22H38O2
Molar mass: 334.541 Da
SMILES: CC\C=C/C/C=C\C\C=C/CCCCCCCCCCCC(O)=O
InChI Key: WBBQTNCISCKUMU-PDBXOOCHSA-N
InChI: 1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-
Lipid Maps code: LMFA01030408
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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. |