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63959-45-5

63959-45-5 structural image
Product Name: SHIKIMATE-3-PHOSPHATE
Formula: C7H11O8P
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COMPUTED DESCRIPTORS

Molecular Weight 254.13 g/mol
XLogP3 -2.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 3
Exact Mass 254.01915430 g/mol
Monoisotopic Mass 254.01915430 g/mol
Topological Polar Surface Area 145 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 357
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

3-phosphoshikimic acid is a phosphoshikimic acid. It has a role as an Escherichia coli metabolite. It is functionally related to a shikimic acid. It is a conjugate acid of a 3-phosphonatoshikimate(3-).

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