KEGG   DRUG: Sodium aceneuramate
Entry
D09855                      Drug                                   
Name
Sodium aceneuramate (JAN);
Sodium N-acetylneuraminate
Formula
C11H19NO9. Na
Exact mass
332.0958
Mol weight
332.2596
Structure
Simcomp
Class
Unclassified
 DG03304  NPL substrate
Remark
ATC code: M09AX05
Chemical structure group: DG02580
Product (DG02580): D11016<JP>
Efficacy
Expectorant
Metabolism
Enzyme: NPL [HSA:80896]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M09 OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
   M09A OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
    M09AX Other drugs for disorders of the musculo-skeletal system
     M09AX05 Aceneuramic acid
      D09855  Sodium aceneuramate (JAN)
Drug groups [BR:br08330]
 Unclassified
  DG03304  NPL substrate
   DG02580  Aceneuramic acid
    D09855  Sodium aceneuramate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09855
Drug groups [BR:br08330]
 Unclassified
  DG03304  NPL substrate
   DG02580  Aceneuramic acid
Other DBs
CAS: 92413-99-5
PubChem: 124490594
LigandBox: D09855
LinkDB
KCF data

ATOM        22
            1   Z   Na   25.6900  -31.5700
            2   C1y C    20.2300  -27.3700
            3   C1y C    20.2300  -28.7700
            4   C1y C    21.4424  -29.4700
            5   C1x C    22.6549  -28.7700
            6   C1z C    22.6549  -27.3700
            7   O2x O    21.4424  -26.6700
            8   C1c C    19.0176  -26.6700
            9   O1a O    17.8221  -27.3604
            10  C1c C    19.0175  -25.2702
            11  C1b C    17.8219  -24.5798
            12  O1a O    20.2468  -24.5603
            13  O1a O    17.8219  -23.1798
            14  C6a C    23.8860  -26.6590
            15  O1a O    23.8861  -28.0809
            16  O6a O    25.0912  -27.3547
            17  O6a O    23.8857  -25.2701
            18  O1a O    21.4424  -30.8698
            19  N1b N    19.0176  -29.4700
            20  C5a C    19.0175  -30.8698
            21  C1a C    17.8219  -31.5602
            22  O5a O    20.2468  -31.5797
BOND        21
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     2   8 1
            8     8   9 1 #Down
            9     8  10 1
            10   10  11 1
            11   10  12 1 #Up
            12   11  13 1
            13    6  14 1
            14    6  15 1 #Up
            15   14  16 1
            16   14  17 2
            17    4  18 1 #Down
            18    3  19 1 #Up
            19   19  20 1
            20   20  21 1
            21   20  22 2

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