4QY

?

Summary

Name:beta-N-acetylglucosamine-6-phosphate
Formula:C8 H16 N O9 P
Formal charge:0
Molecular weight:301.188 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(acetylamino)-2-deoxy-6-O-phosphono-beta-D-glucopyranose
OpenEye OEToolkits1.9.2[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(NC(C)=O)C(OC(C(C1O)O)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyInChI1.03BRGMHAYQAZFZDJ-FMDGEEDCSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N[C@H]1[C@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O
SMILESOpenEye OEToolkits1.9.2CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O