3-oxo-acyl CoAs

Description:

Organic compounds containing a 3-oxo acylated coenzyme A derivative.

Acetoacetyl coenzyme A sodium salt hydrate
- ≥90%
Cas Number: 1420-36-6 Compound CID: 92153

Formula: C₂₅H₄₀N₇O₁₈P₃S·xNa+·yH₂O Molecular Weight: 851.61(anhydrous free acid basis)

IUPAC Name: 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-hydrshow more

SMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

InChIKey: OJFDKHTZOUZBOS-CITAKDKDSA-N

InChI: InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14show more

Synonyms: J-000542 | DTXSID30931292 | 9H-purin-6-amine,9-[5-O-[[[[[(3R)-4-[[3-[[2-[(1,3-dioxobutyl)thio]ethyl]amino]-3-oxopropy...
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