KEGG   COMPOUND: C01996Help
Entry
C01996                      Compound                               

Name
Acetylcholine;
O-Acetylcholine
Formula
C7H16NO2
Exact mass
146.1181
Mol weight
146.2074
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Drug group: 
Reaction
Pathway
Glycerophospholipid metabolism
Neuroactive ligand-receptor interaction
Synaptic vesicle cycle
Cholinergic synapse
Regulation of actin cytoskeleton
Insulin secretion
Salivary secretion
Gastric acid secretion
Pancreatic secretion
Bile secretion
Nicotine addiction
Enzyme
2.3.1.6         3.1.1.7         3.1.1.8
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Neurotransmitters
   Acetylcholine
    C01996  Acetylcholine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB09 Acetylcholine
      C01996  Acetylcholine
BRITE hierarchy
Other DBs
CAS: 
51-84-3
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        10
            1   N1d N    22.3189  -15.4000 #+
            2   C1b C    23.5027  -16.0881
            3   C1a C    21.5840  -16.7355
            4   C1a C    21.6365  -14.0646
            5   C1a C    20.9542  -15.4000
            6   C1b C    24.6866  -15.4000
            7   O7a O    25.8704  -16.0881
            8   C7a C    27.0543  -15.4000
            9   C1a C    28.2382  -16.0881
            10  O6a O    27.0543  -14.0353
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2

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