| PDB CCD ID: | ACI |
| Number of entries in BioLiP: | 23 |
| Chemical formula: | C7 H13 N O4 |
| InChI: | InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1 |
| InChIKey: | XPHOBMULWMGEBA-VZFHVOOUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO | | OpenEye OEToolkits 1.7.6 | C1=C(C(C(C(C1N)O)O)O)CO | | CACTVS 3.370 | N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O | | CACTVS 3.370 | N[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O | | ACDLabs 12.01 | OC1C(N)C=C(C(O)C1O)CO |
|
| Name: | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL |
| ChEMBL: | CHEMBL1230806 |
| DrugBank: | DB02120 |
| ZINC: | ZINC000005413017 |
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