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Chemical structure of 16:0 Coenzyme A triammonium

GC76186

16:0 Coenzyme A triammonium

Also known as triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate

16:0 Coenzyme A triammonium is palmitoyl-CoA, which can serve as a reaction substrate to transfer the palmitoyl group to the free thiol group of the target protein through palmitoylation catalyzed by protein acyl transferases (PATs)

ChemicalCAS799812-86-5MW1057.03FormulaC37H75N10O17P3S
CAS number
799812-86-5
Molecular weight
1057.03
Formula
C37H75N10O17P3S
InChIKey
VJXJWGKNGIGUQX-AUCFWDBISA-N
Catalogue number
GC76186
Brand
GLPBIO
Computed properties PubChem CID 46907890 · TPSA 400 Ų · H-bond donors 9 · H-bond acceptors 22
TPSA
400 Ų
H-bond donors
9
H-bond acceptors
22
Rotatable bonds
34
Heavy atoms
68

SMILES CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.[NH4+].[NH4+].[NH4+]

Computed descriptors from PubChem (CID 46907890), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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