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2-Methylbutyryl CoA

2-Methylbutyryl CoA structure

CAS No:
6712-02-3
Formula:
C26H44N7O17P3S
Chemical Name:
2-Methylbutyryl CoA
Synonyms:
Coenzyme A,S-(2-methylbutanoate);Coenzyme A,S-(2-methylbutyrate);α-Methylbutyryl coenzyme A;α-Methylbutyryl CoA;2-Methylbutyryl CoA
Categories:
Specialty Chemicals

Description

2-methylbutanoyl-CoA is a short-chain, methyl-branched fatty acyl-CoA having 2-methylbutanoyl as the S-acyl group. It is a short-chain fatty acyl-CoA and a methyl-branched fatty acyl-CoA. It derives from a coenzyme A and a 2-methylbutyric acid. It is a conjugate acid of a 2-methylbutanoyl-CoA(4-).

2-Methylbutyryl CoA Basic Attributes

Molecular Weight：

260.3531

Exact Mass：

851.65

Characteristics

PSA：

101

XLogP3：

0.6

2-Methylbutyryl CoA Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:851.7
XLogP3:-4.2
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:22
Exact Mass:851.17272513
Monoisotopic Mass:851.17272513
Topological Polar Surface Area:389
Heavy Atom Count:54
Complexity:1450
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 6712-02-3

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