KEGG   COMPOUND: C00270
Entry
C00270                      Compound                               
Name
N-Acetylneuraminate;
N-Acetylneuraminic acid;
5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;
Neu5Ac
Formula
C11H19NO9
Exact mass
309.106
Mol weight
309.2699
Structure
Remark
Same as: D11016
Comment
Aceneuramate (open-chain) [CPD:C22382]
N-Acetyl-alpha-neuraminate [CPD:C19909]
N-Acetyl-beta-neuraminate [CPD:C19910]
Reaction
R01117 R01803 R01804 R01805 R01806 R01807 R01808 R01810
R01811 R03491 R04018 R04634 R04650 R05115 R05117 R05996
R05998 R05999 R06012 R06147 R06253 R08600 R08601
Pathway
map00520  Amino sugar and nucleotide sugar metabolism
map00541  O-Antigen nucleotide sugar biosynthesis
map01100  Metabolic pathways
map01250  Biosynthesis of nucleotide sugars
Module
M00922  CMP-Neu5Ac biosynthesis
Enzyme
1.14.18.2       2.3.1.44        2.3.1.45        2.5.1.56        
2.7.7.43        3.1.1.53        3.1.3.29        3.2.1.18        
4.1.3.3
Brite
Compounds with biological roles [BR:br08001]
 Carbohydrates
  Monosaccharides
   Amino sugars
    C00270  N-Acetylneuraminic acid
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
      D11016  Aceneuramic acid (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  19  Other agents affecting nervous system and sensory organs
   190  Other agents affecting nervous system and sensory organs
    1900  Other agents affecting nervous system and sensory organs
     D11016  Aceneuramic acid (JAN/USAN)
Drug groups [BR:br08330]
 Unclassified
  DG03304  NPL substrate
   DG02580  Aceneuramic acid
    D11016  Aceneuramic acid
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11016
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11016
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11016
Other DBs
CAS: 131-48-6
PubChem: 3568
ChEBI: 17012
KNApSAcK: C00019584
PDB-CCD: SIA[PDBj] SLB[PDBj]
3DMET: B04658
NIKKAJI: J10.009I
LinkDB
KCF data

ATOM        21
            1   C1y C    24.2148  -21.4379
            2   C1y C    24.2148  -22.8420
            3   O2x O    25.4324  -20.7447
            4   C1c C    22.9971  -20.7447
            5   C1y C    25.4324  -23.5469
            6   N1b N    22.9971  -23.5469
            7   C1z C    26.6383  -21.4379
            8   C1c C    23.0029  -19.3405
            9   O1a O    21.7852  -21.4379
            10  C1x C    26.6383  -22.8420
            11  O1a O    25.4324  -24.9450
            12  C5a C    23.0029  -24.9391
            13  C6a C    27.6287  -20.4418
            14  O1a O    27.9840  -21.7991
            15  C1b C    21.7852  -18.6357
            16  O1a O    24.2148  -18.6357
            17  C1a C    21.7969  -25.6382
            18  O5a O    24.2088  -25.6325
            19  O6a O    28.9861  -20.7971
            20  O6a O    27.2499  -19.0902
            21  O1a O    21.7852  -17.2374
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1 #Either
            13    7  14 1
            14    8  15 1
            15    8  16 1 #Up
            16   12  17 1
            17   12  18 2
            18   13  19 1
            19   13  20 2
            20   15  21 1
            21    7  10 1

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