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POU-066 / 22:5 n-6 / c4,c7,c10,c13,c16-22:5 |
Names: Methyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate; (4Z,7Z,10Z,13Z,16Z)-Docosa-4,7,10,13,16-pentaenoic acid methyl ester; (Z,Z,Z,Z,Z)-4,7,10,13,16-Docosapentaenoic acid methyl ester; 4Z,7Z,10Z,13Z,16Z-Docosapentaenoic acid methyl ester; cis-4, cis-7, cis-10, cis-13, cis-16-Docosapentaenoic acid methyl ester; Osbond acid methyl ester
Formula: C23H36O2
Molar mass: 344.536 Da
Monoisotopic mass: 344.272 Da
SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC
InChI Key: VQHJSIBYSWTMLS-NEUKSRIFSA-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/h7-8,10-11,13-14,16-17,19-20H,3-6,9,12,15,18,21-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-,20-19-
Typical retention indexes:
- ECL on BPX70: 24.143
- ECL on Wax: 23.449
- ECL on DB225: 23.045
- ECL on 5% phenyl: 21.143
- ECL on SLB-IL61: 22.880
- ECL on SLB-IL82: 24.458
- ECL on SLB-IL100: 24.752
- KI on Wax: 2982
- KI on DB225: 2918
- KI on 5% phenyl: 2444
Names: (4Z,7Z,10Z,13Z,16Z)-Docosa-4,7,10,13,16-pentaenoic acid; (Z,Z,Z,Z,Z)-4,7,10,13,16-Docosapentaenoic acid; 4Z,7Z,10Z,13Z,16Z-Docosapentaenoic acid; cis-4, cis-7, cis-10, cis-13, cis-16-Docosapentaenoic acid; Osbond acid
Formula: C22H34O2
Molar mass: 330.509 Da
SMILES: CCCCC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCC(O)=O
InChI Key: AVKOENOBFIYBSA-WMPRHZDHSA-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/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-,19-18-
Lipid Maps code: LMFA04000064
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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. |