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POU-064 / 24:4 n-3 / c12,c15,c18,c21-24:4

Names: Methyl (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate;  (12Z,15Z,18Z,21Z)-Tetracosa-12,15,18,21-tetraenoic acid methyl ester;  (Z,Z,Z,Z)-12,15,18,21-Tetracosatetraenoic acid methyl ester;  12Z,15Z,18Z,21Z-Tetracosatetraenoic acid methyl ester;  cis-12, cis-15, cis-18, cis-21-Tetracosatetraenoic acid methyl ester

Formula: C25H42O2

Molar mass: 374.606 Da

Monoisotopic mass: 374.318 Da

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

InChI Key: KJOYCGWZCBVNMH-GJDCDIHCSA-N

InChI: 1S/C25H42O2/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)27-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-

Non-derivatized:

Names: (12Z,15Z,18Z,21Z)-Tetracosa-12,15,18,21-tetraenoic acid;  (Z,Z,Z,Z)-12,15,18,21-Tetracosatetraenoic acid;  12Z,15Z,18Z,21Z-Tetracosatetraenoic acid;  cis-12, cis-15, cis-18, cis-21-Tetracosatetraenoic acid

Formula: C24H40O2

Molar mass: 360.579 Da

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

InChI Key: IWSADGAQVYYXMM-LTKCOYKYSA-N

InChI: 1S/C24H40O2/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)26/h3-4,6-7,9-10,12-13H,2,5,8,11,14-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-

Lipid Maps code: LMFA01031355



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.