PDB CCD ID: | 07B |
Number of entries in BioLiP: | 0 |
Chemical formula: | C10 H16 O6 |
InChI: | InChI=1S/C10H16O6/c1-15-9(13)5-3-7(11)8(12)4-6(5)10(14)16-2/h5-8,11-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m0/s1 |
InChIKey: | ICVNZKRWDVXSLF-XAMCCFCMSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.352 | COC(=O)[C@H]1C[C@H](O)[C@@H](O)C[C@@H]1C(=O)OC | OpenEye OEToolkits 1.6.1 | COC(=O)C1CC(C(CC1C(=O)OC)O)O | OpenEye OEToolkits 1.6.1 | COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)O)O | CACTVS 3.352 | COC(=O)[CH]1C[CH](O)[CH](O)C[CH]1C(=O)OC | ACDLabs 10.04 | O=C(OC)C1CC(O)C(O)CC1C(=O)OC |
|
Name: | dimethyl (1S,2S,4S,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylate |
ZINC: | ZINC000098207774 |