mycothiol S-conjugates

Modify Date: 2026-07-02 22:34:34

mycothiol S-conjugates Structure
mycothiol S-conjugates structure
Common Name mycothiol S-conjugates
CAS Number 192126-76-4 Molecular Weight 486.49100
Density N/A Boiling Point N/A
Molecular Formula C17H30N2O12S Melting Point N/A
MSDS N/A Flash Point N/A

 Use of mycothiol S-conjugates


Mycothiol is a major low molecular-mass thiol that exists in mycobacteria. Mycothiol is an intracellular reducing agent[1].

Summary: (2R)-2-Acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide, also known as mycothiol S-conjugates, has a CAS number of 192126-76-4, with a molecular formula of C17H30N2O12S and a molecular weight of 486.49100. For research-use only, not for medical or clinical usage.


 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide
Synonym More Synonyms

 mycothiol S-conjugates Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Mycothiol is a major low molecular-mass thiol that exists in mycobacteria. Mycothiol is an intracellular reducing agent[1].
Related Catalog
References

[1]. Nilewar SS, et al. Mycothiol: a promising antitubercular target. Bioorg Chem. 2014 Feb;52:62-8.  

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Molecular Formula C17H30N2O12S
Molecular Weight 486.49100
Exact Mass 486.15200
PSA 284.28000
InChIKey MQBCDKMPXVYCGO-MGQAWMCHSA-N
SMILES CC(=O)NC(CS)C(=O)NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O

 mycothiol S-conjugatesBioassay

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This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Binding affinity to Mycobacterium tuberculosis MST assessed as melting temperature in...
Source: ChEMBL
Target: Conserved protein
External Id: CHEMBL5256124
Name: Binding affinity to Mycobacterium tuberculosis MST assessed as melting temperature in...
Source: ChEMBL
Target: Conserved protein
External Id: CHEMBL5256123
Name: Binding affinity to Mycobacterium tuberculosis MST assessed as change in melting temp...
Source: ChEMBL
Target: Conserved protein
External Id: CHEMBL5256126
Name: Binding affinity to Mycobacterium tuberculosis MST assessed as melting temperature in...
Source: ChEMBL
Target: Conserved protein
External Id: CHEMBL5256125
Name: Binding affinity to Mycobacterium tuberculosis MST assessed as melting temperature in...
Source: ChEMBL
Target: Conserved protein
External Id: CHEMBL5256122
Name: Binding affinity to Mycobacterium tuberculosis MST assessed as melting temperature by...
Source: ChEMBL
Target: Conserved protein
External Id: CHEMBL5256121
Name: Binding affinity to Mycobacterium tuberculosis MST assessed as observed binding const...
Source: ChEMBL
Target: Conserved protein
External Id: CHEMBL5256131
Name: Binding affinity to Mycobacterium tuberculosis MST assessed as Vmax in presence of zi...
Source: ChEMBL
Target: Conserved protein
External Id: CHEMBL5256133
Name: Binding affinity to Mycobacterium tuberculosis MST assessed as change in melting temp...
Source: ChEMBL
Target: Conserved protein
External Id: CHEMBL5256128
Name: Binding affinity to Mycobacterium tuberculosis MST assessed as change in melting temp...
Source: ChEMBL
Target: Conserved protein
External Id: CHEMBL5256127
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

AcCys-GlcN-Ins
1D-myo-inosityl 2-(N-acetylcysteinyl)amido-2-deoxy-1-D-glucopyranoside
mycothiol
MSH
mycothiol S-conjugates
CPD1G-2
U17 cysteine

 mycothiol S-conjugates | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the uses of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide?
A: Main uses of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide: Mycothiol is a major low molecular-mass thiol that exists in mycobacteria. Mycothiol is an intracellular reducing agent[1].
Q: What is the Chinese name of 192126-76-4?
A: Chinese name of 192126-76-4 is 192126-76-4.
Q: What is the InChIKey of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide?
A: InChIKey of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide is MQBCDKMPXVYCGO-MGQAWMCHSA-N.
Q: What is the polar surface area (PSA) of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide?
A: Polar surface area (PSA) of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide is 284.28000.
Q: What English synonyms does (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide have?
A: English synonyms of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide: AcCys-GlcN-Ins, 1D-myo-inosityl 2-(N-acetylcysteinyl)amido-2-deoxy-1-D-glucopyranoside, mycothiol, MSH, mycothiol S-conjugates, CPD1G-2, U17 cysteine.
Q: What is the CAS number of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide?
A: CAS number of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide is 192126-76-4.
Q: What is the molecular weight of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide?
A: Molecular weight of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide is 486.49100.
Q: What is the SMILES notation of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide?
A: SMILES notation of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O.
Q: What is the English name of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide?
A: The English name of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide is (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide.
Q: What is the molecular formula of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide?
A: Molecular formula of (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide is C17H30N2O12S.

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