Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

MN9

Summary
Name:2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE
Formula:C8 H15 N O6
Formal charge:0
Formula weight:221.208 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(acetylamino)-2-deoxy-D-mannose
OpenEye OEToolkits1.6.1N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxo-hexan-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=CC(NC(=O)C)C(O)C(O)C(O)CO
SMILES_CANONICALCACTVS3.352CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
SMILESCACTVS3.352CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO
SMILES_CANONICALOpenEye OEToolkits1.6.1CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
SMILESOpenEye OEToolkits1.6.1CC(=O)NC(C=O)C(C(C(CO)O)O)O
InChIInChI1.03InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1
InChIKeyInChI1.03MBLBDJOUHNCFQT-WCTZXXKLSA-N

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon