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POU-318 / 24:6 n-3 / c6,c9,c12,c15,c18,c21-24:6 |
Names: Methyl (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate; (6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosa-6,9,12,15,18,21-hexaenoic acid methyl ester; (Z,Z,Z,Z,Z,Z)-6,9,12,15,18,21-Tetracosahexaenoic acid methyl ester; 6Z,9Z,12Z,15Z,18Z,21Z-Tetracosahexaenoic acid methyl ester; cis-6, cis-9, cis-12, cis-15, cis-18, cis-21-Tetracosahexaenoic acid methyl ester; Nisinic acid methyl ester
Formula: C25H38O2
Molar mass: 370.574 Da
Monoisotopic mass: 370.287 Da
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC
InChI Key: RCJMCGHUQPLZNR-JDPCYWKWSA-N
InChI: 1S/C25H38O2/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)27-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
Typical retention indexes:
- ECL on BPX70: 27.238
- ECL on Wax: 26.148
- ECL on 5% phenyl: 23.189
- ECL on SLB-IL61: 25.787
- ECL on SLB-IL82: 27.932
- ECL on SLB-IL100: 28.360
- KI on 5% phenyl: 2650
Names: (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoic acid; (Z,Z,Z,Z,Z,Z)-6,9,12,15,18,21-Tetracosahexaenoic acid; 6Z,9Z,12Z,15Z,18Z,21Z-Tetracosahexaenoic acid; cis-6, cis-9, cis-12, cis-15, cis-18, cis-21-Tetracosahexaenoic acid; Nisinic acid
Formula: C24H36O2
Molar mass: 356.547 Da
SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/C/C=C\CCCCC(O)=O
InChI Key: YHGJECVSSKXFCJ-KUBAVDMBSA-N
InChI: 1S/C24H36O2/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/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
Lipid Maps code: LMFA01030822
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. |