6244-91-3
Product Name:
isovaleryl coenzyme a lithium salt hydrate
Formula:
C26H44N7O17P3S
Synonyms:
IV-CoA
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 255.72 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 851.7 g/mol |
|---|---|
| XLogP3 | -4.3 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 22 |
| Exact Mass | 851.17272513 g/mol |
| Monoisotopic Mass | 851.17272513 g/mol |
| Topological Polar Surface Area | 389 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1450 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isovaleryl-CoA is a methylbutanoyl-CoA is the S-isovaleryl derivative of coenzyme A. It has a role as a mouse metabolite. It is a methylbutanoyl-CoA and a short-chain fatty acyl-CoA. It is functionally related to an isovaleric acid and a butyryl-CoA. It is a conjugate acid of an isovaleryl-CoA(4-).