| PDB CCD ID: | E9K |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C7 H13 N O3 |
| InChI: | InChI=1S/C7H13NO3/c9-2-3-1-4-5(8-4)7(11)6(3)10/h3-11H,1-2H2/t3-,4-,5-,6-,7-/m1/s1 |
| InChIKey: | JACJTGDBUDQHPY-NYMZXIIRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C1C(C(C(C2C1N2)O)O)CO | | CACTVS 3.385 | OC[C@H]1C[C@H]2N[C@H]2[C@@H](O)[C@@H]1O | | CACTVS 3.385 | OC[CH]1C[CH]2N[CH]2[CH](O)[CH]1O | | OpenEye OEToolkits 2.0.6 | C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1N2)O)O)CO |
|
| Name: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol |
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