N,N,N-trimethylglycinium (CHEBI:41139)

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CHEBI:41139 - N,N,N-trimethylglycinium

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ChEBI ID	CHEBI:41139
ChEBI Name	N,N,N-trimethylglycinium
Stars
ASCII Name	N,N,N-trimethylglycinium
Definition	A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and carboxymethyl.
Secondary ChEBI IDs	CHEBI:12531, CHEBI:41134
Last Modified	17 February 2016
Downloads	Molfile

Formula	C5H12NO2
Net Charge	+1
Average Mass	118.156
Monoisotopic Mass	118.08626
SMILES	C[N+](C)(C)CC(=O)O
InChI	InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
InChIKey	KWIUHFFTVRNATP-UHFFFAOYSA-O

Roles Classification

Biological Roles:	antiviral agent A substance that destroys or inhibits replication of viruses. anti-obesity agent Any substance which is used to reduce or control weight. fundamental metabolite Any metabolite produced by all living cells.
Application:	antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.

ChEBI Ontology

Outgoing Relation(s)
	N,N,N-trimethylglycinium (CHEBI:41139) has role anti-obesity agent (CHEBI:74518)
	N,N,N-trimethylglycinium (CHEBI:41139) has role antidepressant (CHEBI:35469)
	N,N,N-trimethylglycinium (CHEBI:41139) has role antiviral agent (CHEBI:22587)
	N,N,N-trimethylglycinium (CHEBI:41139) has role fundamental metabolite (CHEBI:78675)
	N,N,N-trimethylglycinium (CHEBI:41139) is a quaternary ammonium ion (CHEBI:35267)
	N,N,N-trimethylglycinium (CHEBI:41139) is conjugate acid of glycine betaine (CHEBI:17750)
Incoming Relation(s)
	glycine betaine hydrate (CHEBI:91242) has part N,N,N-trimethylglycinium (CHEBI:41139)
	glycine betaine (CHEBI:17750) is conjugate base of N,N,N-trimethylglycinium (CHEBI:41139)

IUPAC Name
carboxy-N,N,N-trimethylmethanaminium

Synonyms	Source
betaine	ChEMBL
Betaine, anhydrous	ChEMBL
FEMA NO. 4223	ChEMBL
NSC-166511	ChEMBL
TRIMETHYL GLYCINE	PDBeChem

Brand Name	Source
Amversio	ChEMBL

Manual Xrefs	Databases
BET	PDBeChem
DB04455	DrugBank
ECMDB04024	ECMDB

Registry Numbers	Sources
Beilstein:1758492	Beilstein
Reaxys:1758492	Reaxys
Gmelin:324712	Gmelin

Citations