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POU-063 / 23:4 n-3 / c11,c14,c17,c20-23:4

Names: Methyl (11Z,14Z,17Z,20Z)-tricosa-11,14,17,20-tetraenoate;  (11Z,14Z,17Z,20Z)-Tricosa-11,14,17,20-tetraenoic acid methyl ester;  (Z,Z,Z,Z)-11,14,17,20-Tricosatetraenoic acid methyl ester;  11Z,14Z,17Z,20Z-Tricosatetraenoic acid methyl ester;  cis-11, cis-14, cis-17, cis-20-Tricosatetraenoic acid methyl ester

Formula: C24H40O2

Molar mass: 360.579 Da

Monoisotopic mass: 360.303 Da

SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC

InChI Key: VCOQMGLYMMUARE-GJDCDIHCSA-N

InChI: 1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-23H2,1-2H3/b5-4-,8-7-,11-10-,14-13-

Non-derivatized:

Names: (11Z,14Z,17Z,20Z)-Tricosa-11,14,17,20-tetraenoic acid;  (Z,Z,Z,Z)-11,14,17,20-Tricosatetraenoic acid;  11Z,14Z,17Z,20Z-Tricosatetraenoic acid;  cis-11, cis-14, cis-17, cis-20-Tricosatetraenoic acid

Formula: C23H38O2

Molar mass: 346.552 Da

SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\CCCCCCCCCC(O)=O

InChI Key: FQKBCNFDEYFFHZ-LTKCOYKYSA-N

InChI: 1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h3-4,6-7,9-10,12-13H,2,5,8,11,14-22H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-



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.