ChemicalBook--->CAS DataBase List--->1264-57-9

1264-57-9

1264-57-9 Structure

1264-57-9 Structure
IdentificationBack Directory
[Name]

N-DECANOYL COENZYME A (C10:0)
[CAS]

1264-57-9
[Synonyms]

Capryl CoA
N-decanoylcoenzyme A
Coenzyme A, S-decanoate
Decanoyl-CoA-sodium-salt
Decanoyl-CoA (n-C10:0CoA)
DECANOYLCOENZYME A LITHIUM
N-DECANOYL COENZYME A (C10:0)
S-decanoate coenzyme A, hydrate
Decanoyl coenzyme A monohydrate >=90%
coenzyme A n-decanoyl derivative (C10:0) monohydrate
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] decanethioate
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-azanylpurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] decanethioate
decanethioic acid S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ester
[Molecular Formula]

C31H54N7O17P3S
[MDL Number]

MFCD00079131
[MOL File]

1264-57-9.mol
[Molecular Weight]

921.78
Chemical PropertiesBack Directory
[density ]

1.66±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

H2O: 50 mg/mL, clear, colorless
[form ]

powder
[pka]

1.16±0.50(Predicted)
[color ]

White to off-white
[InChIKey]

IRILGPHKFKSRQN-ASEPKIFHSA-N
[SMILES]

O.CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23
Safety DataBack Directory
[WGK Germany ]

3
[F ]

10-21
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Decanoyl coenzyme A monohydrate has been used in the phosphatidylinositol 4,5-bisphosphate inhibition studies (LC-CoA) and in the human diacylglycerol acyltransferase 1 and 2 assays.
[Definition]

ChEBI: A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of decanoic acid.
[General Description]

Decanoyl coenzyme A is a substrate for acyltransferase. It is a substrate for human liver glycine-N-acylase.
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