| PDB CCD ID: | 7D2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H14 O5 |
| InChI: | InChI=1S/C8H14O5/c9-2-8-1-3(8)4(10)5(11)6(12)7(8)13/h3-7,9-13H,1-2H2/t3-,4+,5+,6-,7-,8+/m1/s1 |
| InChIKey: | ULOOKVKTDMQWTG-JMELQFKFSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C1[C@H]2[C@@]1([C@@H]([C@@H]([C@H]([C@H]2O)O)O)O)CO | | CACTVS 3.385 | OC[C@@]12C[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H]2O | | CACTVS 3.385 | OC[C]12C[CH]1[CH](O)[CH](O)[CH](O)[CH]2O | | OpenEye OEToolkits 2.0.6 | C1C2C1(C(C(C(C2O)O)O)O)CO |
|
| Name: | (1~{R},2~{S},3~{S},4~{S},5~{S},6~{S})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol |
| ZINC: | ZINC000584905452 |
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