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PDBeChem : Molecule Descriptors
Molecule : GL0
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
WQZGKKKJIJFFOK-AIECOIEWSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
OC1C(O)C(OC(O)C1O)CO |
4 |
SMILES
|
CACTVS |
3.370 |
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
C(C1C(C(C(C(O1)O)O)O)O)O |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O |
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