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PDBeChem : Molecule Descriptors
Molecule : SOR
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
FBPFZTCFMRRESA-JGWLITMVSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
OC(C(O)CO)C(O)C(O)CO |
4 |
SMILES
|
CACTVS |
3.341 |
OC[CH](O)[CH](O)[CH](O)[CH](O)CO |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C(C(C(C(CO)O)O)O)O)O |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O |
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