Summary

IMPPAT Phytochemical identifier: IMPHY003997

Phytochemical name: 2-acetamido-2-deoxy-beta-D-glucopyranose

Synonymous chemical names:
glucosamine, n-acetyl, n-acetyl-glucosamine, n-acetylgalactosamine, n-acetylglucosamine

External chemical identifiers:
CID:24139, ChEMBL:CHEMBL447878, ChEBI:28009, ZINC:ZINC000003983907, FDASRS:8P59336F68, SureChEMBL:SCHEMBL19345

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Chemical structure information

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

InChI:
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1

InChIKey:
OVRNDRQMDRJTHS-FMDGEEDCSA-N

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

Functional groups:
CC(=O)NC, 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

NP Classifier Superclass: Aminosugars and aminoglycosides

NP Classifier Class: Aminosugars

NP-Likeness score: 2.019

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Chemical structure download