AMZ
Summary
| Name: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE |
| Synonyms: | AICAR |
| Formula: | C9 H15 N4 O8 P |
| Formal charge: | 0 |
| Formula weight: | 338.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(5-amino-4-aminocarbonyl-imidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1ncn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c1N |
| SMILES | CACTVS | 3.341 | NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | NOTGFIUVDGNKRI-UUOKFMHZSA-N |
