GLA
alpha-D-galactopyranose
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 5 |
Bond Count | 24 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | alpha-D-galactopyranose |
Synonyms | alpha-D-galactose; D-galactose; galactose; ALPHA D-GALACTOSE |
Systematic Name (OpenEye OEToolkits) | (2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
Formula | C6 H12 O6 |
Molecular Weight | 180.156 |
Type | D-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(O)C(OC(O)C1O)CO |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)O)O)O)O)O |
Canonical SMILES | CACTVS | 3.341 | OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O |
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 |
InChIKey | InChI | 1.03 | WQZGKKKJIJFFOK-PHYPRBDBSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 439357 |
ChEMBL | CHEMBL1233058 |
ChEBI | CHEBI:28061 |
CCDC/CSD | CAGALA10, ADGALA03, ADGALA01, ADGALA10 |
COD | 2101291 |