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JSP

Summary
Name:(1R)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
Formula:C10 H16 N3 O7 P
Formal charge:0
Formula weight:321.224 Da
Component type:DNA linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
OpenEye OEToolkits2.0.6[(2~{R},3~{S},5~{R})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(=CN(C(=O)N=C1N)C)C2CC(C(COP(=O)(O)O)O2)O
InChIInChI1.03InChI=1S/C10H16N3O7P/c1-13-3-5(9(11)12-10(13)15)7-2-6(14)8(20-7)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
InChIKeyInChI1.03NSXSEZCKIMJZGT-XLPZGREQSA-N
SMILES_CANONICALCACTVS3.385CN1C=C([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=NC1=O)N
SMILESCACTVS3.385CN1C=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=NC1=O)N
SMILES_CANONICALOpenEye OEToolkits2.0.6CN1C=C(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
SMILESOpenEye OEToolkits2.0.6CN1C=C(C(=NC1=O)N)C2CC(C(O2)COP(=O)(O)O)O

217705

PDB entries from 2024-03-27

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