| PDB CCD ID: | HJ7 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C7 H6 O7 |
| InChI: | InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)/b3-1- |
| InChIKey: | POTZSFVTPSBXLW-IWQZZHSRSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)CC(=CC(=O)C(O)=O)C(O)=O | | OpenEye OEToolkits 2.0.6 | C(C(=CC(=O)C(=O)O)C(=O)O)C(=O)O | | CACTVS 3.385 | OC(=O)CC(=C/C(=O)C(O)=O)/C(O)=O | | OpenEye OEToolkits 2.0.6 | C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O | | ACDLabs 12.01 | C(\C=C(\CC(O)=O)C(O)=O)(=O)C(O)=O |
|
| Name: | (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid;
(3Z)-2-keto-4-carboxy-3-hexenedioate |
| ZINC: | ZINC000001530142 |
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