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204120-61-6

204120-61-6 structural image
Product Name: 4,8-Dimethylnonanoyl-CoA
Formula: C32H56N7O17P3S
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COMPUTED DESCRIPTORS

Molecular Weight 935.8 g/mol
XLogP3 -1.6
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 27
Exact Mass 935.26662551 g/mol
Monoisotopic Mass 935.26662551 g/mol
Topological Polar Surface Area 389 Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1570
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4,8-dimethylnonanoyl-CoA is a medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4,8-dimethylnonanoic acid. It is a medium-chain fatty acyl-CoA and a multi-methyl-branched fatty acyl-CoA. It is functionally related to a 4,8-dimethylnonanoic acid. It is a conjugate acid of a 4,8-dimethylnonanoyl-CoA(4-).