Summary

IMPPAT Phytochemical identifier: IMPHY013827

Phytochemical name: Methyl alpha-D-galactopyranoside

Synonymous chemical names:
methyl-alpha-d-galactopyranoside

External chemical identifiers:
CID:76935, ChEMBL:CHEMBL467773, ChEBI:55507, ZINC:ZINC000004262102, SureChEMBL:SCHEMBL505008, MolPort-003-938-543

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Chemical structure information

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

InChI:
InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1

InChIKey:
HOVAGTYPODGVJG-PZRMXXKTSA-N

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

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

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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

NP Classifier Superclass: Saccharides

NP Classifier Class: Disaccharides

NP-Likeness score: 2.574

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Chemical structure download