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POU-069 / 21:5 n-3 / c6,c9,c12,c15,c18-21:5 |
Names: Methyl (6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenoate; (6Z,9Z,12Z,15Z,18Z)-Henicosa-6,9,12,15,18-pentaenoic acid methyl ester; (Z,Z,Z,Z,Z)-6,9,12,15,18-Henicosapentaenoic acid methyl ester; 6Z,9Z,12Z,15Z,18Z-Henicosapentaenoic acid methyl ester; cis-6, cis-9, cis-12, cis-15, cis-18-Henicosapentaenoic acid methyl ester
Formula: C22H34O2
Molar mass: 330.509 Da
Monoisotopic mass: 330.256 Da
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC
InChI Key: VWHAHPVYEMPWTO-JEBPEJKESA-N
InChI: 1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-21H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
Typical retention indexes:
- ECL on BPX70: 23.752
- ECL on Wax: 22.856
- ECL on DB225: 22.455
- ECL on 5% phenyl: 20.383
- ECL on SLB-IL61: 22.463
- ECL on SLB-IL82: 24.235
- ECL on SLB-IL100: 24.672
- KI on Wax: 2921
- KI on DB225: 2856
- KI on 5% phenyl: 2367
Names: (6Z,9Z,12Z,15Z,18Z)-Henicosa-6,9,12,15,18-pentaenoic acid; (Z,Z,Z,Z,Z)-6,9,12,15,18-Henicosapentaenoic acid methyl ester; 6Z,9Z,12Z,15Z,18Z-Henicosapentaenoic acid methyl ester; cis-6, cis-9, cis-12, cis-15, cis-18-Henicosapentaenoic acid methyl ester
Formula: C21H32O2
Molar mass: 316.483 Da
SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCCCC(O)=O
InChI Key: OQOCQFSPEWCSDO-JLNKQSITSA-N
InChI: 1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-20H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-15-
Lipid Maps code: LMFA01030823
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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. |