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POU-037 / 22:4 n-6 / c7,c10,c13,c16-22:4 |
Names: Methyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate; (7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoic acid methyl ester; (Z,Z,Z,Z)-7,10,13,16-Docosatetraenoic acid methyl ester; 7Z,10Z,13Z,16Z-Docosatetraenoic acid methyl ester; cis-7, cis-10, cis-13, cis-16-Docosatetraenoic acid methyl ester; Methyl adrenate; Adrenic acid methyl ester
Formula: C23H38O2
Molar mass: 346.552 Da
Monoisotopic mass: 346.287 Da
SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC
InChI Key: ABGHYAFHPINIHF-ZKWNWVNESA-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/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
Typical retention indexes:
- ECL on BPX70: 23.902
- ECL on Wax: 23.172
- ECL on DB225: 22.942
- ECL on 5% phenyl: 21.288
- ECL on Rxi-1: 21.135
- ECL on SLB-IL61: 22.915
- ECL on SLB-IL82: 24.270
- ECL on SLB-IL100: 24.623
- KI on Wax: 2953
- KI on DB225: 2907
- KI on 5% phenyl: 2458
Names: (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoic acid; (Z,Z,Z,Z)-7,10,13,16-Docosatetraenoic acid; 7Z,10Z,13Z,16Z-Docosatetraenoic acid; cis-7, cis-10, cis-13, cis-16-Docosatetraenoic acid; Adrenic acid
Formula: C22H36O2
Molar mass: 332.525 Da
SMILES: CCCCC\C=C/C/C=C\C\C=C/C/C=C\CCCCCC(O)=O
InChI Key: TWSWSIQAPQLDBP-DOFZRALJSA-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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-
Lipid Maps code: LMFA01030178
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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. |