Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001864

Phytochemical name: D-Glucosamine

Synonymous chemical names:
glucosamine (d), glucosamine, d-glucosamine

External chemical identifiers:
CID:CID_439213, ChEMBL:CHEMBL493287, ChEBI:CHEBI:47977, SureChEMBL:SCHEMBL167831

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Chemical structure information

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

InChI:
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1

InChIKey:
MSWZFWKMSRAUBD-IVMDWMLBSA-N

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

Functional groups:
CO, COC(O)C, CN

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS019901, MSBNK-RIKEN-PR100126, MSBNK-RIKEN-PR100125, MSBNK-Keio_Univ-KO002998, MSBNK-Keio_Univ-KO002996, MSBNK-Keio_Univ-KO002995, MSBNK-Keio_Univ-KO002994, MSBNK-Antwerp_Univ-METOX_P100233_9EE2, MSBNK-Keio_Univ-KO002997

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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: 2.138

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Chemical structure download