KEGG   DRUG: GlucosamineHelp
Entry
D04334                      Drug                                   

Name
Glucosamine (USAN/INN);
D-Glucosamine
Formula
C6H13NO5
Exact mass
179.0794
Mol weight
179.1711
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C00329
ATC code: M01AX05
Chemical structure group: DG00760
Efficacy
Dietary supplement
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AX Other antiinflammatory and antirheumatic agents, non-steroids
     M01AX05 Glucosamine
      D04334  Glucosamine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 3416-24-8
PubChem: 47206254
ChEBI: 47977
ChEMBL: CHEMBL234432 CHEMBL493287 CHEMBL606759
DrugBank: DB01296
PDB-CCD: GCS[PDBj] PA1[PDBj]
LigandBox: D04334
NIKKAJI: J10.582A
LinkDB All DBs
KCF data Show

ATOM        12
            1   C1y C    20.9195  -13.5285
            2   C1y C    20.9195  -14.9267
            3   O2x O    22.1254  -12.8237
            4   C1b C    19.7136  -12.8237
            5   C1y C    22.1254  -15.6316
            6   O1a O    19.7136  -15.6316
            7   C1y C    23.3430  -13.5285
            8   O1a O    18.6474  -13.7325
            9   C1y C    23.3430  -14.9267
            10  O1a O    22.1312  -17.0298
            11  O1a O    24.5546  -12.8237
            12  N1a N    24.5546  -15.6316
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Either
            11    9  12 1 #Down
            12    7   9 1

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