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Malonyl CoA

Malonyl CoA structure

CAS No:
524-14-1
Formula:
C24H38N7O19P3S
Chemical Name:
Malonyl CoA
Synonyms:
Coenzyme A,S-(hydrogen propanedioate);Coenzyme A,S-(hydrogen malonate);Thiomalonic acid S-ester with coenzyme A;Malonyl coenzyme A;Malonyl CoA;S-Malonyl-CoA;1639989-53-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Solid

Malonyl-CoA is the S-malonyl derivative of coenzyme A. It has a role as an EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor, a metabolite, an Escherichia coli metabolite and a mouse metabolite. It derives from a coenzyme A. It is a conjugate acid of a malonyl-CoA(5-).|A coenzyme A derivative which plays a key role in the fatty acid synthesis in the cytoplasmic and microsomal systems.

Malonyl CoA Basic Attributes

Molecular Weight：

853.6 g/mol

Exact Mass：

853.58

EC Number：

208-353-4

Characteristics

PSA：

426 Å²

Collision Cross Section：

253.05 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|252.2 Å² [M-H]-

Drug Information

MeSH Entry Terms：

CoA, Malonyl

Malonyl CoA Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]

Computed Properties

Molecular Weight:853.6
XLogP3:-5.9
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:22
Exact Mass:853.11560417
Monoisotopic Mass:853.11560417
Topological Polar Surface Area:426
Heavy Atom Count:54
Complexity:1490
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes