CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Collision Cross Section | 302.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
COMPUTED DESCRIPTORS
Molecular Weight | 1034.0 g/mol |
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XLogP3 | 2.8 |
Hydrogen Bond Donor Count | 9 |
Hydrogen Bond Acceptor Count | 22 |
Rotatable Bond Count | 36 |
Exact Mass | 1033.37617596 g/mol |
Monoisotopic Mass | 1033.37617596 g/mol |
Topological Polar Surface Area | 389 Ų |
Heavy Atom Count | 67 |
Formal Charge | 0 |
Complexity | 1660 |
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
Stearoyl-CoA is a long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of stearic acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is functionally related to an octadecanoic acid. It is a conjugate acid of a stearoyl-CoA(4-).