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POU-954 / 20:3 NMI / t7,t13,c17-20:3 |
Names: Methyl (7E,13E,17Z)-icosa-7,13,17-trienoate; (7E,13E,17Z)-Icosa-7,13,17-trienoic acid methyl ester; (E,E,Z)-7,13,17-Icosatrienoic acid methyl ester; 7E,13E,17Z-Icosatrienoic acid methyl ester; trans-7, trans-13, cis-17-Icosatrienoic acid methyl ester; Methyl (7E,13E,17Z)-eicosa-7,13,17-trienoate; (7E,13E,17Z)-Eicosa-7,13,17-trienoic acid methyl ester; (E,E,Z)-7,13,17-Eicosatrienoic acid methyl ester; 7E,13E,17Z-Eicosatrienoic acid methyl ester; trans-7, trans-13, cis-17-Eicosatrienoic acid methyl ester
Formula: C21H36O2
Molar mass: 320.514 Da
Monoisotopic mass: 320.272 Da
SMILES: CC/C=C\CC/C=C/CCCC/C=C/CCCCCC(=O)OC
InChI Key: NICNFMIOPFPVRI-IJGVPKQSSA-N
InChI: 1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,8-9,14-15H,3,6-7,10-13,16-20H2,1-2H3/b5-4-,9-8+,15-14+
Typical retention indexes:
- ECL on BPX70: 21.220
- ECL on Wax: 21.016
- ECL on 5% phenyl: 19.696
- KI on Wax: 2731
- KI on 5% phenyl: 2298
Additional information:
t7,t13,c17-20:3 is reported in S.G.B. Svensson et al., J. Aquaculture 608 (2025) 742746 and may be formed from c5,c8,c11,c14,c17-20:5 (20:5 n-3) by mechanisms outlined in H. Sakurama et al., J. Lipid Res. 55 (2014) 1855-1863.
Names: (7E,13E,17Z)-Icosa-7,13,17-trienoic acid; (E,E,Z)-7,13,17-Icosatrienoic acid; 7E,13E,17Z-Icosatrienoic acid; trans-7, trans-13, cis-17-Icosatrienoic acid; (7E,13E,17Z)-Eicosa-7,13,17-trienoic acid; (E,E,Z)-7,13,17-Eicosatrienoic acid; 7E,13E,17Z-Eicosatrienoic acid; trans-7, trans-13, cis-17-Eicosatrienoic acid
Formula: C20H34O2
Molar mass: 306.487 Da
SMILES: CC\C=C/CC\C=C\CCCC\C=C\CCCCCC(O)=O
InChI Key: QJSGPOJMCJWDDI-RHNRANPYSA-N
InChI: 1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,7-8,13-14H,2,5-6,9-12,15-19H2,1H3,(H,21,22)/b4-3-,8-7+,14-13+
Lipid Maps code: LMFA01031210
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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. |