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POU-067 / 24:5 n-3 / c9,c12,c15,c18,c21-24:5 |
Names: Methyl (9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoate; (9Z,12Z,15Z,18Z,21Z)-Tetracosa-9,12,15,18,21-pentaenoic acid methyl ester; (Z,Z,Z,Z,Z)-9,12,15,18,21-Tetracosapentaenoic acid methyl ester; 9Z,12Z,15Z,18Z,21Z-Tetracosapentaenoic acid methyl ester; cis-9, cis-12, cis-15, cis-18, cis-21-Tetracosapentaenoic acid methyl ester
Formula: C25H40O2
Molar mass: 372.590 Da
Monoisotopic mass: 372.303 Da
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
InChI Key: DRFRUDAVKDRAEF-JEBPEJKESA-N
InChI: 1S/C25H40O2/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/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
Typical retention indexes:
- ECL on BPX70: 26.776
- ECL on Wax: 25.850
- ECL on 5% phenyl: 23.354
- ECL on SLB-IL61: 25.637
- ECL on SLB-IL82: 27.440
- ECL on SLB-IL100: 27.861
- KI on 5% phenyl: 2667
Names: (9Z,12Z,15Z,18Z,21Z)-Tetracosa-9,12,15,18,21-pentaenoic acid; (Z,Z,Z,Z,Z)-9,12,15,18,21-Tetracosapentaenoic acid; 9Z,12Z,15Z,18Z,21Z-Tetracosapentaenoic acid; cis-9, cis-12, cis-15, cis-18, cis-21-Tetracosapentaenoic acid
Formula: C24H38O2
Molar mass: 358.563 Da
SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCCCCCCC(O)=O
InChI Key: NPTIBOCVSPURCS-JLNKQSITSA-N
InChI: 1S/C24H38O2/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/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-
Lipid Maps code: LMFA01030821
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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. |