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S-acetoacetylcoenzyme A

CAS No.
1420-36-6
Chemical Name:
S-acetoacetylcoenzyme A
Synonyms
Acetoacetyl-CoA;S-acetoacetylcoenzyme A;Acetoacetyl coenzymeA[A1625];Coenzyme A S-(3-oxobutanoate);Coenzyme A Impurity 2 (S-Acetoacetate Coenzyme A)(Acetoacetyl-CoA);5'-O-[[[(5,9-Diaza-3-hydroxy-2,2-dimethyl-4,8,13,15-tetraoxo-12-thiahexadecan)-1-yl]phosphono]phosphono]adenosine-3'-phosphoric acid;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(3-oxobutanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]-phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
CBNumber:
CB2886608
Molecular Formula:
C25H40N7O18P3S
Molecular Weight:
851.61
MDL Number:
MOL File:
Mol file
MSDS File:
SDS
Last updated:2026-01-13 11:18:54
Product description Number Pack Size Price
Acetoacetyl coenzyme A sodium salt hydrate cofactor for acyl transfer A1625 5mg $221
Acetoacetyl coenzyme A sodium salt hydrate cofactor for acyl transfer A1625 10mg $384
Acetoacetyl coenzyme A sodium salt hydrate 21219 5mg $195
Acetoacetyl coenzyme A sodium salt hydrate 21219 10mg $293
Acetoacetyl coenzyme A sodium salt hydrate 21219 1mg $65

S-acetoacetylcoenzyme A Properties

Density 1.87±0.1 g/cm3(Predicted)
storage temp. -20°C
solubility Methanol (Slightly, Heated, Sonicated), Water
form Solid
pka 1.16±0.50(Predicted)
color White to Off-White
biological source synthetic (Organic)
Water Solubility H2O: soluble~-50g/L
InChIKey OJFDKHTZOUZBOS-CITAKDKDSA-N
SMILES [Na+].[Na+].[Na+].CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(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
UNSPSC Code 41106305
NACRES NA.51

SAFETY

Risk and Safety Statements

PPE Eyeshields, Gloves, type N95 (US)
WGK Germany  3
Storage Class 11 - Combustible Solids

S-acetoacetylcoenzyme A price More Price(12)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich A1625 Acetoacetyl coenzyme A sodium salt hydrate cofactor for acyl transfer 1420-36-6 5mg $221 2025-07-31 Buy
Sigma-Aldrich A1625 Acetoacetyl coenzyme A sodium salt hydrate cofactor for acyl transfer 1420-36-6 10mg $384 2025-07-31 Buy
Cayman Chemical 21219 Acetoacetyl coenzyme A sodium salt hydrate 1420-36-6 5mg $195 2021-12-16 Buy
Cayman Chemical 21219 Acetoacetyl coenzyme A sodium salt hydrate 1420-36-6 10mg $293 2021-12-16 Buy
Cayman Chemical 21219 Acetoacetyl coenzyme A sodium salt hydrate 1420-36-6 1mg $65 2021-12-16 Buy
Product number Packaging Price Buy
A1625 5mg $221 Buy
A1625 10mg $384 Buy
21219 5mg $195 Buy
21219 10mg $293 Buy
21219 1mg $65 Buy

S-acetoacetylcoenzyme A Chemical Properties,Uses,Production

Uses

Acetoacetyl coenzyme A (Acetoacetyl-CoA) may be used as a substrate for a number of enzymes including; acetoacetyl-CoA thiolase (EC 2.3.1) which produces acetyl-CoA in reverse condensation reaction and (3-Hydroxy-3-methylglutaryl coenzyme A (CoA) synthase (HMGCS)) which produces 3-hydroxy-3-methylglutaryl (HMG)-CoA in the mevalonate pathway leading to terpenoid biosynthesis. Acetoacetyl-CoA is also a precursor of poly-beta-hydroxybutyrate polymers in microorganisms.

Definition

ChEBI: A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of acetoacetic acid.

S-acetoacetylcoenzyme A Preparation Products And Raw materials

Raw materials

Preparation Products

S-acetoacetylcoenzyme A Suppliers

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S-acetoacetylcoenzyme A [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(3-oxobutanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]-phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid Acetoacetyl-CoA 5'-O-[[[(5,9-Diaza-3-hydroxy-2,2-dimethyl-4,8,13,15-tetraoxo-12-thiahexadecan)-1-yl]phosphono]phosphono]adenosine-3'-phosphoric acid Coenzyme A S-(3-oxobutanoate) Coenzyme A Impurity 2 (S-Acetoacetate Coenzyme A)(Acetoacetyl-CoA) Acetoacetyl coenzymeA[A1625] 1420-36-6 C25H40N7O18P3S C25H40N7O18P3SxNayH2O