| PDB CCD ID: | 2R1 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C6 H9 N O4 |
| InChI: | InChI=1S/C6H9NO4/c7-5(6(9)10)3(1-8)4-2-11-4/h4,8H,1-2,7H2,(H,9,10)/b5-3+/t4-/m0/s1 |
| InChIKey: | YMRVZAJPNVCTTL-MXFQXMHVSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC(C(O)=O)=C(CO)[CH]1CO1 | | OpenEye OEToolkits 1.7.6 | C1C(O1)C(=C(C(=O)O)N)CO | | OpenEye OEToolkits 1.7.6 | C1[C@H](O1)/C(=C(\C(=O)O)/N)/CO | | CACTVS 3.385 | N\C(C(O)=O)=C(CO)\[C@@H]1CO1 | | ACDLabs 12.01 | O=C(O)/C(N)=C(/CO)C1OC1 |
|
| Name: | (2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid |
| ZINC: | ZINC000103524206 |
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