KEGG   COMPOUND: C06802Help
Entry
C06802                      Compound                               

Name
Acarbose
Formula
C25H43NO18
Exact mass
645.248
Mol weight
645.6048
Structure
Mol fileKCF fileDB search
Remark
Same as: D00216
Reaction
Pathway
map00525  Acarbose and validamycin biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00814  Acarbose biosynthesis, sedoheptulopyranose-7P => acarbose
Enzyme
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A10 DRUGS USED IN DIABETES
   A10B BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
    A10BF Alpha glucosidase inhibitors
     A10BF01 Acarbose
      D00216  Acarbose (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Blood Glucose Regulators
  Antidiabetic Agents
   Glucose Control Agents, Other
    Acarbose
     D00216  Acarbose (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   396  Antidiabetic agents
    3969  Others
     D00216  Acarbose (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Glycosidases
    AMY
     D00216  Acarbose (JAN/USAN/INN) <JP/US>
    GAA
     D00216  Acarbose (JAN/USAN/INN) <JP/US>
    GANC
     D00216  Acarbose (JAN/USAN/INN) <JP/US>
    MGAM
     D00216  Acarbose (JAN/USAN/INN) <JP/US>
BRITE hierarchy
Other DBs
CAS: 56180-94-0
PubChem: 9021
ChEBI: 2376
ChEMBL: CHEMBL1566 CHEMBL404271
KNApSAcK: C00016021
PDB-CCD: ACR[PDBj] QPS[PDBj]
NIKKAJI: J33.395F
LinkDB All DBs
KCF data Show

ATOM        44
            1   C1y C    19.3200  -15.6100
            2   C1y C    19.3200  -17.0100
            3   C1y C    20.5800  -17.7100
            4   C1y C    21.7700  -17.0100
            5   C2x C    21.7700  -15.6100
            6   C2y C    20.5800  -14.9100
            7   C1b C    20.5800  -13.5100
            8   O1a O    21.7700  -12.8100
            9   O1a O    18.1300  -17.7100
            10  O1a O    20.5800  -19.1100
            11  O1a O    18.1300  -14.9100
            12  N1b N    23.0300  -17.7100
            13  C1y C    24.2200  -17.0100
            14  C1y C    25.4100  -17.7100
            15  C1y C    26.6000  -17.0100
            16  C1y C    26.6000  -15.6100
            17  O2x O    25.4100  -14.9100
            18  C1y C    24.2200  -15.6100
            19  O2a O    27.8600  -14.9100
            20  O1a O    25.4100  -19.1100
            21  O1a O    27.7900  -17.7100
            22  C1a C    22.9600  -14.9100
            23  C1y C    29.0500  -12.8100
            24  C1y C    29.0500  -14.2100
            25  C1y C    30.2400  -14.9100
            26  C1y C    31.5000  -14.2100
            27  C1y C    31.5000  -12.8100
            28  O2x O    30.2400  -12.1100
            29  C1b C    27.8600  -12.1100
            30  O1a O    30.2400  -16.3100
            31  O1a O    32.6900  -14.9100
            32  O2a O    32.6900  -12.1100
            33  O1a O    26.6700  -12.8100
            34  C1y C    33.8800  -10.0100
            35  C1y C    33.8800  -11.4100
            36  C1y C    35.0700  -12.1100
            37  C1y C    36.3300  -11.4100
            38  C1y C    36.3300  -10.0100
            39  O2x O    35.0700   -9.3100
            40  C1b C    32.6900   -9.3100
            41  O1a O    35.0700  -13.5100
            42  O1a O    37.5200   -9.3100
            43  O1a O    37.5200  -12.1100
            44  O1a O    31.5000  -10.0100
BOND        47
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   9 1 #Up
            10    3  10 1 #Down
            11    1  11 1 #Down
            12    4  12 1 #Down
            13   13  12 1 #Down
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   16  19 1 #Down
            21   14  20 1 #Up
            22   15  21 1 #Down
            23   18  22 1 #Up
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   23  28 1
            30   23  29 1 #Up
            31   25  30 1 #Up
            32   24  19 1 #Down
            33   26  31 1 #Down
            34   27  32 1 #Down
            35   29  33 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   37  38 1
            40   38  39 1
            41   34  39 1
            42   34  40 1 #Up
            43   36  41 1 #Up
            44   38  42 1 #Either
            45   37  43 1 #Down
            46   35  32 1 #Down
            47   40  44 1

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