MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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acetylcholine

	Properties	Image
MNX_ID	MNXM793
reference	chebi:15355
formula	C₇H₁₆NO₂
global charge	1
mol weight	146.21
InChIKey	OIPILFWXSMYKGL-UHFFFAOYSA-N
InChI	InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
SMILES	CC(=O)OCC[N+](C)(C)C

MNX internals

InChI (mnx)	InChI=1/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
SMILES (mnx)	[CH3:1][C:7](=[O:9])[O:10][CH2:6][CH2:5][N+:8]([CH3:2])([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	18

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-264643 reactomeM:R-ALL-264643 reactome:R-ALL-264788 reactomeM:R-ALL-264788 reactome:R-ALL-372533 reactomeM:R-ALL-372533 reactome:R-ALL-399976 reactomeM:R-ALL-399976 CHEBI:15355 chebi:15355 OIPILFWXSMYKGL-UHFFFAOYSA-N	acetylcholine 2-acetyloxy-N,N,N-trimethylethanaminium ACETYLCHOLINE ACh Acetylcholine Azetylcholin O-Acetylcholine choline acetate
bigg.metabolite:ach biggM:ach OIPILFWXSMYKGL-UHFFFAOYSA-N	Acetylcholine
hmdb:HMDB0000895 OIPILFWXSMYKGL-UHFFFAOYSA-N	Acetylcholine 2-(Acetyloxy)-N,N,N-trimethylethanaminium ACh Acetilcolina cusi Acetyl choline ion Acetylcholine L tartrate Acetylcholine L-tartrate Acetylcholine bromide Acetylcholine cation Acetylcholine chloride Acetylcholine fluoride Acetylcholine hydroxide Acetylcholine iodide Acetylcholine perchlorate Acetylcholine picrate Acetylcholine picrate (1:1) Acetylcholine sulfate (1:1) Acetylcholinium: acetyl-choline Alcon brand OF acetylcholine chloride Azetylcholin Bournonville brand OF acetylcholine chloride Bromide, acetylcholine Bromoacetylcholine Chloroacetylcholine Choline acetate Choline acetate (ester) Choline acetic acid Ciba vision brand OF acetylcholine chloride Cusi, acetilcolina Fluoride, acetylcholine Hydroxide, acetylcholine Iodide, acetylcholine Iolab brand OF acetylcholine chloride L-Tartrate, acetylcholine Miochol O-Acetylcholine Perchlorate, acetylcholine [2-(acetyloxy)ethyl]trimethylazanium acetylcholine
seed.compound:cpd01367 seedM:cpd01367 OIPILFWXSMYKGL-UHFFFAOYSA-N	Acetylcholine Ach O-Acetylcholine O-acetylcholine acetylcholine
sabiork.compound:2356 sabiorkM:2356 kegg.compound:C01996 keggC:C01996 OIPILFWXSMYKGL-UHFFFAOYSA-N	Acetylcholine O-Acetylcholine
metacyc.compound:ACETYLCHOLINE metacycM:ACETYLCHOLINE OIPILFWXSMYKGL-UHFFFAOYSA-N	acetylcholine Ach O-acetylcholine
vmhM:ach vmhmetabolite:ach OIPILFWXSMYKGL-UHFFFAOYSA-N	acetylcholine [2-(acetyloxy)ethyl]trimethylazanium
hmdb:HMDB00895 chebi:12686 chebi:13715 chebi:22197 chebi:2416 chebi:40559 biggM:M_ach keggC:M_C01996 seedM:M_cpd01367 vmhM:M_ach	secondary/obsolete/fantasy identifier