CAS 1420-36-6: Acetoacetyl-CoA

Formula: C₂₅H₄₀N₇O₁₈P₃S

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(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1

InChI key: InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-N

SMILES: O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CC(=O)C

Synonyms:

• Acetoacetyl coa
• Acetoacetylcoenzyme A
• Coenzyme A, S-(3-oxobutanoate)
• Coenzyme A, S-acetoacetate
• S-Acetoacetyl-CoA
• S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxobutanethioate (non-preferred name)
• S-{1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxobutanethioate (non-preferred name)
• S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxobutanethioate (non-preferred name)
• S-Acetoacetylcoenzyme A

Coenzyme A, S-(3-oxobutanoate)

CAS: 1420-36-6

• Formula: C₁₀H₁₀N₃NaO₅
• Purity: 90%
• Molecular weight: 275.1933

Acetoacetyl Coenzyme A Sodium Salt Hydrate (>90%)

CAS: 1420-36-6

Applications Acetoacetyl-CoA is a derivative of CoA (C636400). In the mevalonate pathway, Acetoacetyl-CoA is a …

• Formula: C₂₅H₄₀N₇O₁₈P₃S·xNa·xH₂O
• Purity: >90%
• Color and Shape: Neat
• Molecular weight: 851.61 + x(18.02) + x(22.99)

S-Acetoacetate coenzyme A

CAS: 1420-36-6

Acetoacetate CoA is an intermediate in the metabolic pathway of fatty acid synthesis. It is …

• Formula: CHNOPS
• Purity: Min. 95%