Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000002

Phytochemical name: D-Glucose

Synonymous chemical names:
glucose, d-glucose

External chemical identifiers:
CID:CID_5793, ChEMBL:CHEMBL1222250, ChEBI:CHEBI:4167, SureChEMBL:SCHEMBL1278, MolPort-021-782-999

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Chemical structure information

SMILES:
OC[C@H]1OC(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-GASJEMHNSA-N

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

Functional groups:
CO, COC(O)C

Link to spectral information:
MSBNK-BGC_Munich-RP022611, MSBNK-RIKEN-PR010032, MSBNK-Keio_Univ-KO000808, MSBNK-Keio_Univ-KO000807, MSBNK-Keio_Univ-KO000806, MSBNK-RIKEN-PR010031, MSBNK-Keio_Univ-KO000804, MSBNK-BGC_Munich-RP022613, MSBNK-BGC_Munich-RP022612, MSBNK-Keio_Univ-KO000805

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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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Chemical structure download