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

5CM

Summary
Name:5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H16 N3 O7 P
Formal charge:0
Formula weight:321.224 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate)
OpenEye OEToolkits1.5.0[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N=C(N)C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C
SMILES_CANONICALCACTVS3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N=C1N
SMILESCACTVS3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0CC1=CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyInChI1.03RGDVNLHBCKWZDA-XLPZGREQSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon