1553-55-5
Product Name:
S-(hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A
Formula:
C27H44N7O20P3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 911.7 g/mol |
|---|---|
| XLogP3 | -6.6 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 25 |
| Rotatable Bond Count | 24 |
| Exact Mass | 911.15746899 g/mol |
| Monoisotopic Mass | 911.15746899 g/mol |
| Topological Polar Surface Area | 447 Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1610 |
| 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
3-hydroxy-3-methylglutaryl-CoA is an alpha,omega dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 3-hydroxy-3-methylglutaric acid. It has a role as a Saccharomyces cerevisiae metabolite. It is an omega-carboxyacyl-CoA and a 3-hydroxy fatty acyl-CoA. It is functionally related to a glutaryl-CoA and a 3-hydroxy-3-methylglutaric acid.