Mycothiol
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Mycothiol
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CAS No:
192126-76-4
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Formula:
C17H30N2O12S
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Chemical Name:
Mycothiol
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Synonyms:
D-myo-Inositol,1-O-[2-[[(2R)-2-(acetylamino)-3-mercapto-1-oxopropyl]amino]-2-deoxy-α-D-glucopyranosyl]-;1-O-[2-[[(2R)-2-(Acetylamino)-3-mercapto-1-oxopropyl]amino]-2-deoxy-α-D-glucopyranosyl]-D-myo-inositol;U 17;Mycothiol
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CAS No:
Description
Mycothiol is a pseudodisaccharide, 1D-myo-inosityl-alpha-D-glucopyranoside, in which the hydroxy group at the 2-position of the glucose moiety is replaced by an (N-acetyl-L-cysteinyl)amido group. It has a role as a bacterial metabolite, a reducing agent and a cofactor. It is a 2-deoxy-alpha-D-glucoside, a thiol and a member of mycothiols. It derives from a myo-inositol.
Computed Properties
Molecular Weight:486.5
XLogP3:-5.6
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:486.15194557
Monoisotopic Mass:486.15194557
Topological Polar Surface Area:240
Heavy Atom Count:32
Complexity:643
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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