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POU-038 / 22:5 n-3 / c7,c10,c13,c16,c19-22:5 |
Names: Methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate; (7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid methyl ester; (Z,Z,Z,Z,Z)-7,10,13,16,19-Docosapentaenoic acid methyl ester; 7Z,10Z,13Z,16Z,19Z-Docosapentaenoic acid methyl ester; cis-7, cis-10, cis-13, cis-16, cis-19-Docosapentaenoic acid methyl ester; Methyl clupanodonate; Clupanodonic acid methyl ester
Formula: C23H36O2
Molar mass: 344.536 Da
Monoisotopic mass: 344.272 Da
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC
InChI Key: PTFHIRHGARALFY-JEBPEJKESA-N
InChI: 1S/C23H36O2/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/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
Typical retention indexes:
- ECL on BPX70: 24.740
- ECL on Wax: 23.833
- ECL on DB225: 23.457
- ECL on 5% phenyl: 21.358
- ECL on Rxi-1: 21.172
- ECL on SLB-IL61: 23.504
- ECL on SLB-IL82: 25.274
- ECL on SLB-IL100: 25.711
- KI on DB225: 2961
- KI on 5% phenyl: 2465
Names: (7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid; (Z,Z,Z,Z,Z)-7,10,13,16,19-Docosapentaenoic acid; 7Z,10Z,13Z,16Z,19Z-Docosapentaenoic acid; cis-7, cis-10, cis-13, cis-16, cis-19-Docosapentaenoic acid; Clupanodonic acid; DPA
Formula: C22H34O2
Molar mass: 330.509 Da
SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCCCCC(O)=O
InChI Key: YUFFSWGQGVEMMI-JLNKQSITSA-N
InChI: 1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-
Lipid Maps code: LMFA04000044
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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. |