| Number |
qtl-m1101 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
146 |
| Product ions(Q3) |
86 |
| Main fragments |
|
| Compound |
Acetylcholine |
| Identification |
standard |
| class |
Vitamin |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:15355 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1764436;; |
| BioModels Database Links |
BIOMD0000000553;;BIOMD0000000552;;BIOMD0000000002;; |
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
acetylcholine;; |
| Charge |
+1;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
Actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter.;; |
| DrugBank Database Links |
DB03128;; |
| Formulae |
C7H16NO2;; |
| Gmelin Registry Numbers |
326108;; |
| INN |
|
| IUPAC Names |
2-acetyloxy-N,N,N-trimethylethanaminium;; |
| InChI |
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1;; |
| InChIKey |
OIPILFWXSMYKGL-UHFFFAOYSA-N;; |
| IntAct Database Links |
EBI-1776426;;EBI-1776416;;EBI-1769992;; |
| IntEnz Database Links |
EC 3.1.1.7;;EC 2.3.1.6;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
25 Feb 2016;; |
| Mass |
146.20748;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008157552;;WO2008155351;;WO2008124749;;WO2008116308;;WO2007130581;;WO2007128884;;WO2007111958;;WO2007109142;;WO2007108808;;WO2007102162;;WO2007100430;;WO2007094755;;WO2007087341;;WO2006134021;;WO2006131923;;WO2006087630;;WO2006065788;;WO2006065755;;WO2 |
| PubChem Database Links |
8145821;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8500722;;8331294;;21601579;;21545631;;21246223;;21130809;;20963497;;19255787;;18407448;;18050502;;17284361;;17011181;;16362770;;16275899;;15894309;;15675987;;15556286;;15361288;;15288882;;15231705;;15210062;;15014918;;15013569;;15008956;;14764638;;1469865 |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-749456;;R-HSA-749454;;R-HSA-749452;;R-HSA-749448;;R-HSA-629599;;R-HSA-629596;;R-HSA-629588;;R-HSA-400012;;R-HSA-399995;;R-HSA-390673;;R-HSA-390649;;R-HSA-383313;;R-HSA-380073;;R-HSA-379048;;R-HSA-372529;;R-HSA-372519;;R-HSA-372505;;R-HSA-264622;;R-H |
| Rhea Database Links |
RHEA:18821;;RHEA:17561;; |
| SABIO-RK Database Links |
1314;;1312;; |
| SMILES |
CC(=O)OCC[N+](C)(C)C;; |
| Secondary ChEBI ID |
CHEBI:22197;;CHEBI:13715;;CHEBI:12686;;CHEBI:2416;;CHEBI:40559;; |
| Star |
3;; |
| Synonyms |
choline acetate;;acetylcholine;;[2-(acetyloxy)ethyl]trimethylazanium;;Choline acetate (ester);;Azetylcholin;;Acetylcholinium: acetyl-Choline;;Acetylcholine cation;;Acetyl choline ion;;ACh;;2-acetyloxyethyl(trimethyl)azanium;;2-acetyloxyethyl(trimethyl)amm |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9YGX1;;Q9YGX0;;Q9YGW9;;Q9YGW8;;Q9YGJ6;;Q9YGJ5;;Q9YGJ0;;Q9YGI4;;Q9YGI2;;Q9YGI1;;Q9YGC7;;Q9YGC4;;Q9YGC2;;Q9Y4J8;;Q9XZK7;;Q9XZK6;;Q9XWU2;;Q9XVX1;;Q9XV66;;Q9WVC2;;Q9W7K2;;Q9W7K1;;Q9W7K0;;Q9W7J9;;Q9W7J7;;Q9W7J6;;Q9W7J5;;Q9W7I3;;Q9W729;;Q9W727;;Q9VHN5;;Q9VE46; |
| ChEBI Image |
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