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POU-159 / 22:4 n-9 ccct / c4,c7,c10,t13-22:4

Names: Methyl (4Z,7Z,10Z,13E)-docosa-4,7,10,13-tetraenoate;  (4Z,7Z,10Z,13E)-Docosa-4,7,10,13-tetraenoic acid methyl ester;  (Z,Z,Z,E)-4,7,10,13-Docosatetraenoic acid methyl ester;  4Z,7Z,10Z,13E-Docosatetraenoic acid methyl ester;  cis-4, cis-7, cis-10, cis-13-Docosatetraenoic acid methyl ester

Formula: C23H38O2

Molar mass: 346.552 Da

Monoisotopic mass: 346.287 Da

SMILES: CCCCCCCC/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)OC

InChI Key: RAVQCZGWZSRZTA-CSFSWFHSSA-N

InChI: 1S/C23H38O2/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/h10-11,13-14,16-17,19-20H,3-9,12,15,18,21-22H2,1-2H3/b11-10+,14-13-,17-16-,20-19-

Typical retention indexes:
- ECL on BPX70: 23.460

Non-derivatized:

Names: (4Z,7Z,10Z,13E)-Docosa-4,7,10,13-tetraenoic acid;  (Z,Z,Z,E)-4,7,10,13-Docosatetraenoic acid;  4Z,7Z,10Z,13E-Docosatetraenoic acid;  cis-4, cis-7, cis-10, cis-13-Docosatetraenoic acid

Formula: C22H36O2

Molar mass: 332.525 Da

SMILES: CCCCCCCC\C=C\C\C=C/C/C=C\C\C=C/CCC(O)=O

InChI Key: WSCPRLMTEVITJR-DEYSSILGSA-N

InChI: 1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,12-13,15-16,18-19H,2-8,11,14,17,20-21H2,1H3,(H,23,24)/b10-9+,13-12-,16-15-,19-18-

Lipid Maps code: LMFA04000066



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.