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
Program | Version | Name |
OpenEye OEToolkits | 2.0.5 | 9-[(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
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=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 |
InChIKey | InChI | 1.03 | DMJWGQPYNRPLGA-KQYNXXCUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1n3cnc4C(=O)NC=Nc34 |
SMILES | CACTVS | 3.385 | O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4C(=O)NC=Nc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O |
SMILES | OpenEye OEToolkits | 2.0.5 | c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=CNC2=O |