Showing Metabocard for ADP-D-glycero-beta-D-manno-heptose (BASm0003896)
| Common Name | Adp-d-glycero-beta-d-manno-heptose |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C17H25N5O16P2 |
| Average Mass | 617.35500 |
| Monoisotopic Mass | 617.07825 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O |
| InChI Identifier | InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/p-2/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17+/m1/s1 |
| InChI Key | KMSFWBYFWSKGGR-FQBROAFUSA-L |
| CHEBI ID | CHEBI:59967 |
| MiMeDB ID | MMDBc0055688 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |