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6SW

Summary
Name:Inosine-3',5'-cyclic monophosphate
Synonyms:cIMP
Formula:C10 H11 N4 O7 P
Formal charge:0
Formula weight:330.191 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.59-[(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2,7-bis(oxidanyl)-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1~{H}-purin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1
InChIKeyInChI1.03DMJWGQPYNRPLGA-KQYNXXCUSA-N
SMILES_CANONICALCACTVS3.385O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1n3cnc4C(=O)NC=Nc34
SMILESCACTVS3.385O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4C(=O)NC=Nc34
SMILES_CANONICALOpenEye OEToolkits2.0.5c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O
SMILESOpenEye OEToolkits2.0.5c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=CNC2=O

217705

PDB entries from 2024-03-27

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