| PDB CCD ID: | IDT |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C6 H8 O7 |
| InChI: | InChI=1/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1,3,6-9,12H,(H,10,11)/t1-,3+,6+/m0/s1/f/h10H |
| InChIKey: | BPCLKHIDDIVGBM-GAFHTIRDDP |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | O[CH]1OC(=C(O)[CH](O)[CH]1O)C(O)=O | | CACTVS 3.341 | O[C@@H]1OC(=C(O)[C@H](O)[C@H]1O)C(O)=O | | OpenEye OEToolkits 1.5.0 | C1(C(C(=C(OC1O)C(=O)O)O)O)O | | OpenEye OEToolkits 1.5.0 | [C@H]1([C@H](C(=C(O[C@H]1O)C(=O)O)O)O)O | | ACDLabs 10.04 | O=C(O)C=1OC(O)C(O)C(O)C=1O |
|
| Name: | 4,5-DEHYDRO-L-IDURONIC ACID |
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