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POU-957 / 22:3 NMI / t9,t15,c19-22:3 |
Names: Methyl (9E,15E,19Z)-docosa-9,15,19-trienoate; (9E,15E,19Z)-Docosa-9,15,19-trienoic acid methyl ester; (E,E,Z)-9,15,19-Docosatrienoic acid methyl ester; 9E,15E,19Z-Docosatrienoic acid methyl ester; trans-9, trans-15, cis-19-Docosatrienoic acid methyl ester
Formula: C23H40O2
Molar mass: 348.568 Da
Monoisotopic mass: 348.303 Da
SMILES: CC/C=C\CC/C=C/CCCC/C=C/CCCCCCCC(=O)OC
InChI Key: FKEPCQQUGCAROZ-IJGVPKQSSA-N
InChI: 1S/C23H40O2/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/h4-5,8-9,14-15H,3,6-7,10-13,16-22H2,1-2H3/b5-4-,9-8+,15-14+
Typical retention indexes:
- ECL on BPX70: 23.225
- ECL on Wax: 23.015
- KI on Wax: 2937
Additional information:
t9,t15,c19-22:3 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: (9E,15E,19Z)-Docosa-9,15,19-trienoic acid; (E,E,Z)-9,15,19-Docosatrienoic acid; 9E,15E,19Z-Docosatrienoic acid; trans-9, trans-15, cis-19-Docosatrienoic acid
Formula: C22H38O2
Molar mass: 334.541 Da
SMILES: CC\C=C/CC\C=C\CCCC\C=C\CCCCCCCC(O)=O
InChI Key: MUDDABLMNYAAES-RHNRANPYSA-N
InChI: 1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,7-8,13-14H,2,5-6,9-12,15-21H2,1H3,(H,23,24)/b4-3-,8-7+,14-13+
Lipid Maps code: LMFA01031211
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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. |