Summary

IMPPAT Phytochemical identifier: IMPHY014925

Phytochemical name: beta-D-Glucose

Synonymous chemical names:
glucoside

External chemical identifiers:
CID:64689, ChEMBL:CHEMBL1614854, ChEBI:15903, ZINC:ZINC000003833800, FDASRS:J4R00M814D, SureChEMBL:SCHEMBL25601, MolPort-006-111-449

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
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:
WQZGKKKJIJFFOK-VFUOTHLCSA-N

DeepSMILES:
OC[C@H]O[C@@H]O)[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@H](C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Carbohydrates, Shikimates and Phenylpropanoids

NP Classifier Superclass: Saccharides, Flavonoids

NP Classifier Class: Disaccharides, Flavones, Monosaccharides, Polysaccharides

NP-Likeness score: 2.627

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Covalent inhibitor information

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Chemical structure download