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Coenzymes and cofactors

Mycothiol

Also known as AcCys-GlcN-Ins, (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside, 1-O-[2-[[(2R)-2-(acetylamino)-3-mercapto-1-oxopropyl]amino]-2-deoxy-alpha-D-glucopyranosyl]-D-myo-inositol

CAS 192126-76-4Formula C17H30N2O12SMolar mass 486.50 g/mol
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Mycothiol chemical structure, C17H30N2O12S, CAS 192126-76-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
192126-76-4
Formula
C17H30N2O12S
Molar mass
486.50 g/mol
HS code
293299
Category
Coenzymes and cofactors

What is Mycothiol?

Plain description, key identifiers and synonyms

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 cofactor, a reducing agent and a bacterial metabolite. It is a member of mycothiols, a thiol and a 2-deoxy-alpha-D-glucoside. It is functionally related to a myo-inositol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide
CAS number
192126-76-4 CAS number cross-checked
Molecular formula
C17H30N2O12S
UNII
RTA4HG7FQ7
InChIKey
MQBCDKMPXVYCGO-MGQAWMCHSA-N
InChI
InChI=1S/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)/t5-,6+,7+,8+,9+,10?,11-,12+,13+,14+,15?,17+/m0/s1
Canonical SMILES
CC(=O)NC(CS)C(=O)NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O
Isomeric SMILES
CC(=O)N[C@@H](CS)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC2[C@@H]([C@H](C([C@H]([C@H]2O)O)O)O)O)CO)O)O

Synonyms

  • AcCys-GlcN-Ins
  • (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside
  • 1-O-[2-[[(2R)-2-(acetylamino)-3-mercapto-1-oxopropyl]amino]-2-deoxy-alpha-D-glucopyranosyl]-D-myo-inositol
  • MSH
  • 1-O-(2'-[N-acetyl-L-cysteinyl]amido-2'-deoxy-alpha-D-glucopyranosyl)-D-myo-inositol
  • 1-O-(2-[N-acetyl-L-cysteinyl]amido-2-deoxy-alpha-D-glucopyranosyl)-D-myo-inositol
  • 1-O-[2-(N-acetyl-L-cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-inositol
  • 1-O-{2-[(N-acetyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranosyl}-1D-myo-inositol
  • 1D-1-O-[2-(N-acetyl-L-cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-myo-inositol
  • U17 cysteine
  • (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 S-conjugate
  • (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide
  • Mycothiol - Stabilised with trifluoroacetic acid ammonium salt
  • 1-D-myo-inosityl-2-(N-acetylcysteinyl)amido-2-deoxy-alpha-D-glucopyranoside
  • 1-D-myo-inositol-2-(N-acetyl-L-cysteinyl)amido-2-deoxy-alpha-D-glucopyranoside
  • 1-D-myo-inositol-2-(N-acetyl-L-cysteinyl)amino-2-deoxy-alpha-D-glucopyranoside
  • 1-O-[2-(N(2)-acetyl-L-cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol
  • 1-O-[2-(N2-acetyl-L-cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol
  • 1-O-[2-[[(2R)-2-(Acetylamino)-3-mercapto-1-oxopropyl]amino]-2-deoxy-?-D-glucopyranosyl]-D-myo-inositol disulfide
  • D-myo-Inositol, 1-O-[2-[[(2R)-2-(acetylamino)-3-mercapto-1-oxopropyl]amino]-2-deoxy-alpha-D-glucopyranosyl]-
  • XGZ

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
486.50 g/molcalc.
Exact mass
486.1519 Dacalc.
LogP (octanol/water)
-6.45calc.
Topological polar surface area
238.5 Ųcalc.
Hydrogen bond donors
11calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
7calc.
Heavy atoms
32calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
12calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC(OC2CCCCO2)CC1

C1CCC(OC2CCCCO2)CC1

2 rings, 13 atoms, the 2H-Pyran, 2-(cyclohexyloxy)tetrahydro- ring system.

179 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Mycothiol suppliers

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Mycothiol price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • bacterial metabolite
  • cofactor
  • metabolite
  • prokaryotic metabolite
  • reducing agent

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Mycothiol is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Mycothiol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mycothiol, based on the data on this page

What is Mycothiol?

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 cofactor, a reducing agent and a bacterial metabolite.

What is the CAS number of Mycothiol?

The CAS registry number of Mycothiol is 192126-76-4.

What is the molecular formula and weight of Mycothiol?

The molecular formula of Mycothiol is C17H30N2O12S and its molar mass is 486.50 g/mol.

What is Mycothiol used for?

Known uses and roles of Mycothiol include bacterial metabolite, cofactor, metabolite, prokaryotic metabolite and reducing agent.

Is Mycothiol hazardous?

No GHS hazard classification for Mycothiol is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Mycothiol?

Mycothiol is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mycothiol?

Post a free request on CompoundList and suppliers of Mycothiol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Mycothiol?

Suppliers quote Mycothiol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Mycothiol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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