Mycothiol

CAS Registry Number®

192126-76-4
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CAS Name

Mycothiol

Molecular Formula

C17H30N2O12S

Molecular Mass

486.49

Cite this Page

Mycothiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=192126-76-4 (retrieved 2024-04-20) (CAS RN: 192126-76-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=MQBCDKMPXVYCGO-FQBKTPCVSA-N

SMILES

O([C@@H]1[C@H](NC([C@@H](NC(C)=O)CS)=O)[C@@H](O)[C@H](O)[C@@H](CO)O1)[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=C(NC(C(=O)NC1C(O)C(O)C(OC1OC2C(O)C(O)C(O)C(O)C2O)CO)CS)C

Other Names for this Substance

  • 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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