| PDB CCD ID: | ENL |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C8 H10 O5 |
| InChI: | InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6+ |
| InChIKey: | GXEKYRXVRROBEV-FBXFSONDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C1CC2C(C(C1O2)C(=O)O)C(=O)O | | CACTVS 3.341 | OC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(O)=O | | OpenEye OEToolkits 1.5.0 | C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O | | ACDLabs 10.04 | O=C(O)C1C(C(=O)O)C2OC1CC2 | | CACTVS 3.341 | OC(=O)[CH]1[CH]2CC[CH](O2)[CH]1C(O)=O |
|
| Name: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;
Endothall |
| ChEMBL: | CHEMBL428650 |
| ZINC: | ZINC000003872447 |
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