| PDB CCD ID: | ALI |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C8 H12 N2 O4 |
| InChI: | InChI=1S/C8H12N2O4/c1-9-8-10-4-6(13)5(12)3(2-11)7(4)14-8/h3-7,11-13H,1-2H2/t3-,4-,5-,6-,7+/m1/s1 |
| InChIKey: | YJMIXNAZGREWGZ-GKHCUFPYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C=NC1=NC2C(C(C(C2O1)CO)O)O | | OpenEye OEToolkits 1.5.0 | C=NC1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O | | CACTVS 3.341 | OC[CH]1[CH](O)[CH](O)[CH]2N=C(O[CH]12)N=C | | ACDLabs 10.04 | N1=C(\N=C)OC2C1C(O)C(O)C2CO | | CACTVS 3.341 | OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2N=C(O[C@@H]12)N=C |
|
| Name: | METHYL N-ACETYL ALLOSAMINE;
(4R,5R,6R)-6-(HYDROXYMETHYL)-2-(METHYLENEAMINO)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA[D][1,3]OXAZOLE-4,5-DIOL |
| DrugBank: | DB03539 |
| ZINC: | ZINC000033821201 |
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