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485-80-3

485-80-3 structural image
Product Name: S-adenosylmethionine
Formula: C15H23N6O5S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 78 °C
LogP -5.3
Collision Cross Section 185.6 Ų [M+H]+

COMPUTED DESCRIPTORS

Molecular Weight 399.4 g/mol
XLogP3 -3.5
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 7
Exact Mass 399.14506403 g/mol
Monoisotopic Mass 399.14506403 g/mol
Topological Polar Surface Area 184 Ų
Heavy Atom Count 27
Formal Charge 1
Complexity 533
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

S-adenosyl-L-methionine is a sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine. It has a role as a coenzyme, a nutraceutical, a micronutrient, a human metabolite, a Saccharomyces cerevisiae metabolite, a Mycoplasma genitalium metabolite and a cofactor. It is a conjugate acid of a S-adenosyl-L-methioninate. It is an enantiomer of a S-adenosyl-D-methionine. It is a tautomer of a S-adenosyl-L-methionine zwitterion.