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DIU-029 / 22:2 n-6 / c13,c16-22:2

Names: Methyl (13Z,16Z)-docosa-13,16-dienoate;  (13Z,16Z)-Docosa-13,16-dienoic acid methyl ester;  (Z,Z)-13,16-Docosadienoic acid methyl ester;  13Z,16Z-Docosadienoic acid methyl ester;  cis-13, cis-16-Docosadienoic acid methyl ester

Formula: C23H42O2

Molar mass: 350.584 Da

Monoisotopic mass: 350.318 Da

SMILES: CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC

InChI Key: UPIRHFZFPVEDCF-NQLNTKRDSA-N

InChI: 1S/C23H42O2/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/h7-8,10-11H,3-6,9,12-22H2,1-2H3/b8-7-,11-10-

Typical retention indexes:
- ECL on BPX70: 23.070
- ECL on BP20: 22.674
- ECL on DB225: 22.596
- ECL on SLB-IL61: 22.624

Non-derivatized:

Names: (13Z,16Z)-Docosa-13,16-dienoic acid;  (Z,Z)-13,16-Docosadienoic acid;  13Z,16Z-Docosadienoic acid;  cis-13, cis-16-Docosadienoic acid

Formula: C22H40O2

Molar mass: 336.557 Da

SMILES: CCCCC\C=C/C/C=C\CCCCCCCCCCCC(O)=O

InChI Key: HVGRZDASOHMCSK-HZJYTTRNSA-N

InChI: 1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-

Lipid Maps code: LMFA01030405



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.