M7P
Summary
| Name: | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose |
| Synonyms: | D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE 7-O-phosphono-D-glycero-alpha-D-manno-heptose; 7-O-phosphono-D-glycero-D-manno-heptose; 7-O-phosphono-D-glycero-manno-heptose |
| Formula: | C7 H15 O10 P |
| Formal charge: | 0 |
| Formula weight: | 290.162 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2R)-2-hydroxy-2-[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CO[P](O)(O)=O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | SDADNVAZGVDAIM-QTNLNCNHSA-N |
