| PDB CCD ID: | LXE |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C6 H14 N O3 |
| InChI: | InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/p+1/t3-,4+,5+,6+/m1/s1 |
| InChIKey: | XJKPQBOZNVQXOP-VANKVMQKSA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1C(C(C(C1O)O)CO)[NH3+] | | CACTVS 3.385 | [NH3+][CH]1C[CH](O)[CH](O)[CH]1CO | | OpenEye OEToolkits 2.0.7 | C1[C@@H]([C@H]([C@@H]([C@H]1O)O)CO)[NH3+] | | CACTVS 3.385 | [NH3+][C@H]1C[C@H](O)[C@@H](O)[C@@H]1CO |
|
| Name: | [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium |
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