| PDB CCD ID: | XPJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H17 N O5 |
| InChI: | InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1 |
| InChIKey: | MBBZMMPHUWSWHV-BNHYGAARSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CNC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO | | CACTVS 3.385 | CNC[CH](O)[CH](O)[CH](O)[CH](O)CO | | OpenEye OEToolkits 2.0.7 | CNC[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O | | OpenEye OEToolkits 2.0.7 | CNCC(C(C(C(CO)O)O)O)O | | ACDLabs 12.01 | C(C(O)CO)(C(C(CNC)O)O)O |
|
| Name: | 1-deoxy-1-(methylamino)-D-allitol;
N-Methyl-D-glucamine |
| ChEMBL: | CHEMBL1435334 |
| ZINC: | ZINC000003831028 |
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