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POU-055 / 22:4 n-3 / c10,c13,c16,c19-22:4 |
Names: Methyl (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate; (10Z,13Z,16Z,19Z)-Docosa-10,13,16,19-tetraenoic acid methyl ester; (Z,Z,Z,Z)-10,13,16,19-Docosatetraenoic acid methyl ester; 10Z,13Z,16Z,19Z-Docosatetraenoic acid methyl ester; cis-10, cis-13, cis-16, cis-19-Docosatetraenoic acid methyl ester
Formula: C23H38O2
Molar mass: 346.552 Da
Monoisotopic mass: 346.287 Da
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC
InChI Key: XKZIJJIPQXQYBG-GJDCDIHCSA-N
InChI: 1S/C23H38O2/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/h4-5,7-8,10-11,13-14H,3,6,9,12,15-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-
Typical retention indexes:
- ECL on BPX70: 24.322
- ECL on Wax: 23.576
- ECL on SLB-IL61: 23.393
- ECL on SLB-IL82: 24.829
- ECL on SLB-IL100: 25.237
- KI on Wax: 2995
Names: (8Z,11Z,14Z,17Z)-Docosa-8,11,14,17-tetraenoic acid; (Z,Z,Z,Z)-10,13,16,19-Docosatetraenoic acid; 10Z,13Z,16Z,19Z-Docosatetraenoic acid; cis-10, cis-13, cis-16, cis-19-Docosatetraenoic acid
Formula: C22H36O2
Molar mass: 332.525 Da
SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\CCCCCCCCC(O)=O
InChI Key: IGFLWIHPPADNDL-LTKCOYKYSA-N
InChI: 1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13H,2,5,8,11,14-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-
Lipid Maps code: LMFA01031304
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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. |