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

PNA

Summary
Name:4-nitrophenyl alpha-D-mannopyranoside
Synonyms:4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE
4-nitrophenyl alpha-D-mannoside; 4-nitrophenyl D-mannoside; 4-nitrophenyl mannoside
Formula:C12 H15 N O8
Formal charge:0
Formula weight:301.249 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-nitrophenyl alpha-D-mannopyranoside
OpenEye OEToolkits1.5.0(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
PDB-CARE1.04'-nitrophenyl-a-D-mannopyranoside

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.341OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O
InChIInChI1.03InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12+/m1/s1
InChIKeyInChI1.03IFBHRQDFSNCLOZ-GCHJQGSQSA-N

220113

PDB entries from 2024-05-22

PDB statisticsPDBj update infoContact PDBjnumon