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AIR

Summary
Name:5-AMINOIMIDAZOLE RIBONUCLEOTIDE
Formula:C8 H14 N3 O7 P
Formal charge:0
Formula weight:295.186 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine
OpenEye OEToolkits1.5.0[(2R,3S,4R,5R)-5-(5-aminoimidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC2OC(n1cncc1N)C(O)C2O
SMILES_CANONICALCACTVS3.341Nc1cncn1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
SMILESCACTVS3.341Nc1cncn1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N
SMILESOpenEye OEToolkits1.5.0c1c(n(cn1)C2C(C(C(O2)COP(=O)(O)O)O)O)N
InChIInChI1.03InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
InChIKeyInChI1.03PDACUKOKVHBVHJ-XVFCMESISA-N

217705

PDB entries from 2024-03-27

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