3AG
Summary
| Name: | 2-[METHYL-(4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE |
| Synonyms: | 3-AZA-2,3-DIHYDROGERANYL DIPHOSPHATE |
| Formula: | C9 H18 N O7 P2 |
| Formal charge: | -3 |
| Formula weight: | 314.189 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | [2-(methyl-(4-methylpent-3-enyl)amino)ethoxy-oxido-phosphoryl] phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CCO[P]([O-])(=O)O[P]([O-])([O-])=O)CCC=C(C)C |
| SMILES | CACTVS | 3.341 | CN(CCO[P]([O-])(=O)O[P]([O-])([O-])=O)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CCCN(C)CCOP(=O)([O-])OP(=O)([O-])[O-])C |
| InChI | InChI | 1.03 | InChI=1S/C9H21NO7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3 |
| InChIKey | InChI | 1.03 | UWHNDWYDKGVRGE-UHFFFAOYSA-K |
