NMN
Summary
| Name: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE |
| Synonyms: | NICOTINAMIDE MONONUCLEOTIDE |
| Formula: | C11 H16 N2 O8 P |
| Formal charge: | 1 |
| Formula weight: | 335.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.341 | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | DAYLJWODMCOQEW-TURQNECASA-O |
