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

CTN

Summary
Name:4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE
Synonyms:CYTIDINE
Formula:C9 H13 N3 O5
Formal charge:0
Formula weight:243.217 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04cytidine
OpenEye OEToolkits1.5.04-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO
SMILES_CANONICALCACTVS3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
SMILESCACTVS3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
InChIInChI1.03InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
InChIKeyInChI1.03UHDGCWIWMRVCDJ-XVFCMESISA-N

227111

건을2024-11-06부터공개중

PDB statisticsPDBj update infoContact PDBjnumon