Summary

IMPPAT Phytochemical identifier: IMPHY003417

Phytochemical name: L-Sorbose

Synonymous chemical names:
l-sorbose, sorbose

External chemical identifiers:
CID:439192, ChEBI:48649, SureChEMBL:SCHEMBL3137590, MolPort-004-963-494

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Chemical structure information

SMILES:
OCC1(O)OC[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m0/s1

InChIKey:
LKDRXBCSQODPBY-AMVSKUEXSA-N

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

Functional groups:
CO, COC(C)(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

NP Classifier Superclass: Saccharides

NP Classifier Class: Monosaccharides

NP-Likeness score: 2.328

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Chemical structure download