GUM

4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE


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Chemical Component Summary

Name4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE
Synonyms4-METHYLUMBELLIFERYL CHITOBIOSE
IdentifiersN-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-oxan-3-yl]ethanamide
FormulaC26 H34 N2 O13
Molecular Weight582.554
TypeNON-POLYMER
Isomeric SMILESCC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C
InChIInChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
InChIKeyUPSFMJHZUCSEHU-JYGUBCOQSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count10
Bond Count78
Aromatic Bond Count11

Drug Info: DrugBank

DrugBank IDDB02759 
Name4-methyl-umbelliferyl-N-acetyl-chitobiose
Groups experimental
Synonyms
  • 4-methyl-umbelliferyl-N-acetyl-chitobiose
  • 4-Mudacb
  • 4-methylumbelliferyl-N,N-diacetylchitobioside
Categories
  • Benzopyrans
  • Carbohydrates
  • Coumarins
  • Heterocyclic Compounds, Fused-Ring
  • Muramidase, antagonists & inhibitors
CAS number53643-12-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Lysozyme CMKALIVLGLVLLSVTVQGKVFERCELARTLKRLGMDGYRGISLANWMCLA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 171284