| PDB CCD ID: | 4EX |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C5 H10 B O6 |
| InChI: | InChI=1S/C5H10BO6/c1-5-4(3(7)2-10-5)11-6(8,9)12-5/h3-4,7-9H,2H2,1H3/t3-,4+,5+/m0/s1 |
| InChIKey: | OWQXKULJXBGEGX-VPENINKCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@]12OC[C@H](O)[C@H]1O[B](O)(O)O2 | | CACTVS 3.385 | C[C]12OC[CH](O)[CH]1O[B](O)(O)O2 | | OpenEye OEToolkits 1.7.6 | B1(OC2C(COC2(O1)C)O)(O)O | | OpenEye OEToolkits 1.7.6 | B1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O |
|
| Name: | (3~{a}~{S},6~{S},6~{a}~{R})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{H}-furo[2,3-d][1,3,2]dioxaborol-6-ol |
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