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5AD

Summary
Name:5'-DEOXYADENOSINE
Formula:C10 H13 N5 O3
Formal charge:0
Formula weight:251.242 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045'-deoxyadenosine
OpenEye OEToolkits1.5.0(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methyl-oxolane-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C)N
SMILES_CANONICALCACTVS3.341C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
SMILESCACTVS3.341C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
SMILESOpenEye OEToolkits1.5.0CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
InChIInChI1.03InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyInChI1.03XGYIMTFOTBMPFP-KQYNXXCUSA-N

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PDB entries from 2024-03-27

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