PDB CCD ID: | EVA |
Number of entries in BioLiP: | 4 |
Chemical formula: | C6 H9 N O6 |
InChI: | InChI=1S/C6H9NO6/c8-2-1(6(12)13)7-5(11)4(10)3(2)9/h1-4,8-10H,(H,7,11)(H,12,13)/t1-,2+,3-,4+/m0/s1 |
InChIKey: | YEWOHTVJCCDCCS-NTAGLIMJSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.0 | C1(C(C(NC(=O)C1O)C(=O)O)O)O | OpenEye OEToolkits 1.7.0 | [C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O | CACTVS 3.352 | O[CH]1[CH](O)[CH](NC(=O)[CH]1O)C(O)=O | ACDLabs 11.02 | O=C(O)C1NC(=O)C(O)C(O)C1O | CACTVS 3.352 | O[C@H]1[C@H](O)[C@H](NC(=O)[C@@H]1O)C(O)=O |
|
Name: | (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid |
ChEMBL: | CHEMBL1232598 |