ADH
Summary
| Name: | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE |
| Formula: | C7 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 159.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S,2S,3S)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | (1S,2S,3S)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1CC(=CC(N)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1C=C(CO)C[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | N[CH]1C=C(CO)C[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H]([C@H](C=C1CO)N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C=C1CO)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1,5-7,9-11H,2-3,8H2/t5-,6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | BMZJPVSGERKRHP-ACZMJKKPSA-N |
