| PDB CCD ID: | 1UC |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H7 N O5 |
| InChI: | InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1+,5-4+ |
| InChIKey: | KACPVQQHDVBVFC-PMRVSPHWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC(\C(O)=O)=C(/C=C/C=O)C(O)=O | | OpenEye OEToolkits 1.7.6 | C(=CC(=C(C(=O)O)N)C(=O)O)C=O | | CACTVS 3.385 | NC(C(O)=O)=C(C=CC=O)C(O)=O | | ACDLabs 12.01 | O=C(O)C(=C(/C=C\C=O)C(=O)O)/N | | OpenEye OEToolkits 1.7.6 | C(=C/C(=C(/C(=O)O)\N)/C(=O)O)C=O |
|
| Name: | (2E)-2-amino-3-[(1E)-3-oxoprop-1-en-1-yl]but-2-enedioic acid |
| ZINC: | ZINC000100253045 |
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