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Chemical structure of 1,3-Didocosahexaenoyl-2-Palmitoyl-rac-glycerol

GC41841

1,3-Didocosahexaenoyl-2-Palmitoyl-rac-glycerol

Also known as [3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hexadecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

1,3-Didocosahexaenoyl-2-palmitoyl-rac-glycerol is a triacylglycerol that contains docosahexaenoic acid at the sn-1 and sn-3 positions and palmitic acid at the sn-2 position

ChemicalCAS197016-86-7MW951.5FormulaC63H98O6
CAS number
197016-86-7
Molecular weight
951.5
Formula
C63H98O6
Solubility
Chloroform： miscible
InChIKey
DTALXLIWJFILFM-PPHCTRBVSA-N
Catalogue number
GC41841
Brand
GLPBIO
Computed properties PubChem CID 122213819 · XLogP 20.1 · TPSA 78.9 Ų · H-bond donors 0
XLogP
20.1
TPSA
78.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
50
Heavy atoms
69

SMILES CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

Computed descriptors from PubChem (CID 122213819), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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