Summary

IMPPAT Phytochemical identifier: IMPHY011299

Phytochemical name: 1,5-Anhydro-D-glucitol

Synonymous chemical names:
d-1,5-anhydroglucitol

External chemical identifiers:
CID:64960, ChEMBL:CHEMBL344637, ChEBI:16070, ZINC:ZINC000004097377, FDASRS:Y79RBL5ZLQ, SureChEMBL:SCHEMBL114051, MolPort-006-111-098

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Chemical structure information

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

InChI:
InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1

InChIKey:
MPCAJMNYNOGXPB-SLPGGIOYSA-N

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

Functional groups:
CO, COC

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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: Monosaccharides

NP-Likeness score: 2.488

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Chemical structure download