PDB CCD ID: | ADH |
Number of entries in BioLiP: | 4 |
Chemical formula: | C7 H13 N O3 |
InChI: | 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: | BMZJPVSGERKRHP-ACZMJKKPSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | N[C@H]1C=C(CO)C[C@H](O)[C@H]1O | CACTVS 3.341 | N[CH]1C=C(CO)C[CH](O)[CH]1O | ACDLabs 10.04 | OC1CC(=CC(N)C1O)CO | OpenEye OEToolkits 1.5.0 | C1C(C(C(C=C1CO)N)O)O | OpenEye OEToolkits 1.5.0 | C1[C@@H]([C@H]([C@H](C=C1CO)N)O)O |
|
Name: | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE |
DrugBank: | DB01789 |
ZINC: | ZINC000033821184 |