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

ZEB

Summary
Name:4-HYDROXY-3,4-DIHYDRO-ZEBULARINE
Formula:C9 H14 N2 O6
Formal charge:0
Formula weight:246.217 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4R)-4-hydroxy-1-beta-D-ribofuranosyl-3,4-dihydropyrimidin-2(1H)-one
OpenEye OEToolkits1.5.0(4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3,4-dihydropyrimidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(O)C=CN1C2OC(C(O)C2O)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C[C@@H](O)NC2=O
SMILESCACTVS3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=C[CH](O)NC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O
InChIInChI1.03InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4-8,12-15H,3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyInChI1.03LUOTYVSEHPPZEM-FMDGEEDCSA-N

223532

數據於2024-08-07公開中

PDB statisticsPDBj update infoContact PDBjnumon