KEGG   COMPOUND: C01996Help
Entry
C01996                      Compound                               

Name
Acetylcholine;
O-Acetylcholine
Formula
C7H16NO2
Exact mass
146.1181
Mol weight
146.2074
Structure
Mol fileKCF fileDB search
Remark
ATC code: S01EB09
Drug group: DG01133
Reaction
Pathway
map00564  Glycerophospholipid metabolism
map04024  cAMP signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04721  Synaptic vesicle cycle
map04725  Cholinergic synapse
map04742  Taste transduction
map04810  Regulation of actin cytoskeleton
map04911  Insulin secretion
map04970  Salivary secretion
map04971  Gastric acid secretion
map04972  Pancreatic secretion
map04976  Bile secretion
map05033  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: 5093
ChEBI: 15355
ChEMBL: CHEMBL667
PDB-CCD: ACH[PDBj]
3DMET: B00379
NIKKAJI: J4.127K
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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