CRA

1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE

Created:1999-07-08
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count5
Bond Count35
Aromatic Bond Count0
2D diagram of CRA

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Chemical Component Summary

Name1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE
Systematic Name (OpenEye OEToolkits)methyl N-[(2S,3R,4S,5S,6R)-2-aminocarbonyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
FormulaC9 H16 N2 O8
Molecular Weight280.232
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC)NC1(OC(CO)C(O)C(O)C1O)C(=O)N
SMILESCACTVS3.341COC(=O)N[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)C(N)=O
SMILESOpenEye OEToolkits1.5.0COC(=O)NC1(C(C(C(C(O1)CO)O)O)O)C(=O)N
Canonical SMILESCACTVS3.341 COC(=O)N[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O
Canonical SMILESOpenEye OEToolkits1.5.0 COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N
InChIInChI1.03 InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3-,4-,5+,6-,9+/m1/s1
InChIKeyInChI1.03 ZQTAMPRAONLFQI-FMTWGGRWSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04013 
Name1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide
Groups experimental
Synonyms1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Glycogen phosphorylase, muscle formMSRPLSDQEKRKQISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPR...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 444456
ChEMBL CHEMBL133097