MGM
Summary
| Name: | 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE |
| Synonyms: | 3-AZAGERANYLGERANYL DIPHOSPHATE |
| Formula: | C19 H37 N O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 453.447 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-{methyl[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]amino}ethyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.5.0 | 2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OP(=O)(OCCN(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CCO[P@@](O)(=O)O[P](O)(O)=O)CC/C=C(C)/CC\C=C(/C)CCC=C(C)C |
| SMILES | CACTVS | 3.341 | CN(CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CCCC(=CCCC(=CCCN(C)CCOP(=O)(O)OP(=O)(O)O)C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+ |
| InChIKey | InChI | 1.03 | OEMBPHBKZPOPBN-NWLVNBMCSA-N |
