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POU-626 / 20:3 n-9 / c5,c8,c11-20:3 |
Names: Methyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate; (5Z,8Z,11Z)-Icosa-5,8,11-trienoic acid methyl ester; (Z,Z,Z)-5,8,11-Icosatrienoic acid methyl ester; 5Z,8Z,11Z-Icosatrienoic acid methyl ester; cis-5, cis-8, cis-11-Icosatrienoic acid methyl ester; Methyl (5Z,8Z,11Z)-eicosa-5,8,11-trienoate; (5Z,8Z,11Z)-Eicosa-5,8,11-trienoic acid methyl ester; (Z,Z,Z)-5,8,11-Eicosatrienoic acid methyl ester; 5Z,8Z,11Z-Eicosatrienoic acid methyl ester; cis-5, cis-8, cis-11-Eicosatrienoic acid methyl ester; Mead acid methyl ester
Formula: C21H36O2
Molar mass: 320.514 Da
Monoisotopic mass: 320.272 Da
SMILES: CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC
InChI Key: AESHPAQQBZWZMS-NWFXIAEYSA-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/h10-11,13-14,16-17H,3-9,12,15,18-20H2,1-2H3/b11-10-,14-13-,17-16-
Typical retention indexes:
- ECL on BPX70: 21.155
- ECL on Wax: 20.687
- KI on Wax: 2697
Names: (5Z,8Z,11Z)-Icosa-5,8,11-trienoic acid; (Z,Z,Z)-5,8,11-Icosatrienoic acid; 5Z,8Z,11Z-Icosatrienoic acid; cis-5, cis-8, cis-11-Icosatrienoic acid; (5Z,8Z,11Z)-Eicosa-5,8,11-trienoic acid; (Z,Z,Z)-5,8,11-Eicosatrienoic acid; 5Z,8Z,11Z-Eicosatrienoic acid; cis-5, cis-8, cis-11-Eicosatrienoic acid; Mead acid
Formula: C20H34O2
Molar mass: 306.487 Da
SMILES: CCCCCCCC\C=C/C/C=C\C\C=C/CCCC(O)=O
InChI Key: UNSRRHDPHVZAHH-YOILPLPUSA-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/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9-,13-12-,16-15-
Lipid Maps code: LMFA01030381
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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. |