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461-06-3

461-06-3 structural image
Product Name: DL-CARNITINE
Formula: C7H15NO3
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COMPUTED DESCRIPTORS

Molecular Weight 161.20 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 161.10519334 g/mol
Monoisotopic Mass 161.10519334 g/mol
Topological Polar Surface Area 60.4 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 134
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Carnitine is an amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4. It has a role as a human metabolite and a mouse metabolite. It is functionally related to a butyrate. It is a conjugate base of a carnitinium.

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