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POU-048 / 22:3 NMI / c7,c13,c16-22:3 |
Names: Methyl (7Z,13Z,16Z)-docosa-7,13,16-trienoate; (7Z,13Z,16Z)-Docosa-7,13,16-trienoic acid methyl ester; (Z,Z,Z)-7,13,16-Docosatrienoic acid methyl ester; 7Z,13Z,16Z-Docosatrienoic acid methyl ester; cis-7, cis-13, cis16-Docosatrienoic acid methyl ester
Formula: C23H40O2
Molar mass: 348.568 Da
Monoisotopic mass: 348.303 Da
SMILES: CCCCC/C=C\C/C=C\CCCC/C=C\CCCCCC(=O)OC
InChI Key: WSNCTEMKHKZMMP-DXBQHLCFSA-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/h7-8,10-11,16-17H,3-6,9,12-15,18-22H2,1-2H3/b8-7-,11-10-,17-16-
Typical retention indexes:
- ECL on BPX70: 23.392
- ECL on Wax: 22.842
- ECL on 5% phenyl: 21.440
- KI on Wax: 2919
- KI on 5% phenyl: 2474
Names: (7Z,13Z,16Z)-Docosa-7,13,16-trienoic acid; (Z,Z,Z)-7,13,16-Docosatrienoic acid; 7Z,13Z,16Z-Docosatrienoic acid; cis-7, cis-13, cis16-Docosatrienoic acid
Formula: C22H38O2
Molar mass: 334.541 Da
SMILES: CCCCC\C=C/C/C=C\CCCC\C=C/CCCCCC(O)=O
InChI Key: GUHKSOUIJGCNGR-URZBRJKDSA-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/h6-7,9-10,15-16H,2-5,8,11-14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,16-15-
Lipid Maps code: LMFA04000062
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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. |