| PDB CCD ID: | AI2 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C5 H10 B O7 |
| InChI: | InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1 |
| InChIKey: | ACKRRKSNOOISSG-VPENINKCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | C[C]12OC[CH](O)[C]1(O)O[B-](O)(O)O2 | | OpenEye OEToolkits 1.5.0 | [B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O | | CACTVS 3.341 | C[C@]12OC[C@H](O)[C@@]1(O)O[B-](O)(O)O2 | | ACDLabs 10.04 | OC1C2(O[B-](OC2(OC1)C)(O)O)O | | OpenEye OEToolkits 1.5.0 | [B-]1(OC2(C(O1)(C(CO2)O)O)C)(O)O |
|
| Name: | 3A-METHYL-5,6-DIHYDRO-FURO[2,3-D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL;
(2S,3R,4S)-2-METHYL-3,4-DIHYDROXY-OXOLAN-2,3-DIOXY-BORATE |
| ChEMBL: | CHEMBL1230903 |
| ZINC: | ZINC000195359531 |
umich.edu