| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:38:13 UTC |
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| Update Date | 2020-05-21 16:27:01 UTC |
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| BMDB ID | BMDB0000895 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Acetylcholine |
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| Description | Acetylcholine, also known as ACh or choline acetate, belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH. Acetylcholine is a drug which is used to obtain miosis of the iris in seconds after delivery of the lens in cataract surgery, in penetrating keratoplasty, iridectomy and other anterior segment surgery where rapid miosis may be required. In cattle, acetylcholine is involved in the metabolic pathway called the phospholipid biosynthesis pathway. Based on a literature review a significant number of articles have been published on Acetylcholine. |
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| Structure | |
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| Synonyms | | Value | Source |
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| ACh | ChEBI | | Azetylcholin | ChEBI | | Choline acetate | ChEBI | | O-Acetylcholine | ChEBI | | Choline acetic acid | Generator | | Acetylcholine iodide | HMDB | | Acetylcholine perchlorate | HMDB | | Acetylcholine sulfate (1:1) | HMDB | | Bromoacetylcholine | HMDB | | Cusi, acetilcolina | HMDB | | Iodide, acetylcholine | HMDB | | 2-(Acetyloxy)-N,N,N-trimethylethanaminium | HMDB | | Acetilcolina cusi | HMDB | | Acetylcholine fluoride | HMDB | | Acetylcholine L tartrate | HMDB | | Acetylcholine picrate | HMDB | | Chloroacetylcholine | HMDB | | Miochol | HMDB | | Perchlorate, acetylcholine | HMDB | | Acetylcholine L-tartrate | HMDB | | Acetylcholine picrate (1:1) | HMDB | | Hydroxide, acetylcholine | HMDB | | Acetylcholine bromide | HMDB | | Acetylcholine chloride | HMDB | | Acetylcholine hydroxide | HMDB | | Bromide, acetylcholine | HMDB | | Fluoride, acetylcholine | HMDB | | L-Tartrate, acetylcholine | HMDB | | Acetyl choline ion | HMDB | | Acetylcholine cation | HMDB | | Acetylcholinium: acetyl-choline | HMDB | | Choline acetate (ester) | HMDB | | Bournonville brand OF acetylcholine chloride | HMDB | | Iolab brand OF acetylcholine chloride | HMDB | | Alcon brand OF acetylcholine chloride | HMDB | | Ciba vision brand OF acetylcholine chloride | HMDB | | Acetylcholine | MeSH, HMDB |
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| Chemical Formula | C7H16NO2 |
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| Average Molecular Weight | 146.2074 |
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| Monoisotopic Molecular Weight | 146.118103761 |
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| IUPAC Name | [2-(acetyloxy)ethyl]trimethylazanium |
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| Traditional Name | acetylcholine |
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| CAS Registry Number | 51-84-3 |
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| SMILES | CC(=O)OCC[N+](C)(C)C |
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| InChI Identifier | InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 |
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| InChI Key | OIPILFWXSMYKGL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH. |
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| Kingdom | Organic compounds |
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| Super Class | Organic nitrogen compounds |
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| Class | Organonitrogen compounds |
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| Sub Class | Quaternary ammonium salts |
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| Direct Parent | Acyl cholines |
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| Alternative Parents | |
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| Substituents | - Acyl choline
- Tetraalkylammonium salt
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Organooxygen compound
- Carbonyl group
- Amine
- Organic cation
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cytoplasm
- Mitochondria
- Myelin sheath
- Nucleus
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 148 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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