PDB CCD ID: | 88Q |
Number of entries in BioLiP: | 4 |
Chemical formula: | C12 H22 O6 |
InChI: | InChI=1S/C12H22O6/c13-5-11(15)3-1-9(17-7-11)10-2-4-12(16,6-14)8-18-10/h9-10,13-16H,1-8H2/t9-,10-,11-,12-/m0/s1 |
InChIKey: | FJMBBGDZFKPKCM-BJDJZHNGSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | OC[C@@]1(O)CC[C@H](OC1)[C@@H]2CC[C@](O)(CO)CO2 | ACDLabs 12.01 | OCC1(O)CCC(OC1)C2OCC(O)(CO)CC2 | OpenEye OEToolkits 1.9.2 | C1C[C@@](CO[C@@H]1[C@@H]2CC[C@@](CO2)(CO)O)(CO)O | OpenEye OEToolkits 1.9.2 | C1CC(COC1C2CCC(CO2)(CO)O)(CO)O | CACTVS 3.385 | OC[C]1(O)CC[CH](OC1)[CH]2CC[C](O)(CO)CO2 |
|
Name: | 1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-C-(hydroxymethyl)-L-manno-decitol |
ZINC: | ZINC000095920657 |