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

MDJ

Summary
Name:4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1H)-one
Formula:C11 H17 N2 O8 P
Formal charge:0
Formula weight:336.235 Da
Component type:DNA linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1H)-one
OpenEye OEToolkits1.7.0[(2R,3S,5R)-5-[4-azanyl-3-(hydroxymethyl)-2-oxo-pyridin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OCC2OC(N1C(=O)C(=C(N)C=C1)CO)CC2O
SMILES_CANONICALCACTVS3.370NC1=C(CO)C(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
SMILESCACTVS3.370NC1=C(CO)C(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
SMILES_CANONICALOpenEye OEToolkits1.7.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=C(C2=O)CO)N)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.7.0C1C(C(OC1N2C=CC(=C(C2=O)CO)N)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C11H17N2O8P/c12-7-1-2-13(11(16)6(7)4-14)10-3-8(15)9(21-10)5-20-22(17,18)19/h1-2,8-10,14-15H,3-5,12H2,(H2,17,18,19)/t8-,9+,10+/m0/s1
InChIKeyInChI1.03FIHVBWHWCWOFPJ-IVZWLZJFSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon