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POU-039 / 22:6 n-3 / c4,c7,c10,c13,c16,c19-22:6 |
Names: Methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate; (4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoic acid methyl ester; (Z,Z,Z,Z,Z,Z)-4,7,10,13,16,19-Docosahexaenoic acid methyl ester; 4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoic acid methyl ester; cis-4, cis-7, cis-10, cis-13, cis-16, cis-19-Docosahexaenoic acid methyl ester; Methyl cervonate; Cervonic acid methyl ester
Formula: C23H34O2
Molar mass: 342.520 Da
Monoisotopic mass: 342.256 Da
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC
InChI Key: VCDLWFYODNTQOT-JDPCYWKWSA-N
InChI: 1S/C23H34O2/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/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
Typical retention indexes:
- ECL on BPX70: 24.995
- ECL on Wax: 24.122
- ECL on DB225: 23.544
- ECL on 5% phenyl: 21.214
- ECL on Rxi-1: 21.003
- ECL on SLB-IL61: 23.474
- ECL on SLB-IL82: 25.476
- ECL on SLB-IL100: 25.852
- KI on DB225: 2970
- KI on 5% phenyl: 2451
Names: (4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoic acid; (Z,Z,Z,Z,Z,Z)-4,7,10,13,16,19-Docosahexaenoic acid; 4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoic acid; cis-4, cis-7, cis-10, cis-13, cis-16, cis-19-Docosahexaenoic acid; Cervonic acid; DHA
Formula: C22H32O2
Molar mass: 328.494 Da
SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/C/C=C\CCC(O)=O
InChI Key: MBMBGCFOFBJSGT-KUBAVDMBSA-N
InChI: 1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
ChEBI code: CHEBI:28125
Lipid Maps code: LMFA01030185
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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. |