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CHEBI:91242 - glycine betaine hydrate

ChEBI IDCHEBI:91242
ChEBI Nameglycine betaine hydrate
Stars
DefinitionA hydrate that is the monohydrate form of glycine betaine.
Last Modified17 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC5H11NO2.H2O
Net Charge0
Average Mass135.163
Monoisotopic Mass135.08954
SMILESC[N+](C)(C)CC(=O)[O-].O
InChIInChI=1S/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2
InChIKeyNJZRLXNBGZBREL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
glycine betaine hydrate (CHEBI:91242) has part N,N,N-trimethylglycinium (CHEBI:41139)
glycine betaine hydrate (CHEBI:91242) has role fundamental metabolite (CHEBI:78675)
glycine betaine hydrate (CHEBI:91242) is a hydrate (CHEBI:35505)
IUPAC Names 
(trimethylazaniumyl)acetate—water (1/1)
carboxy-N,N,N-trimethylmethanaminium hydroxide
Synonyms  Source
glycine betaine monohydrateChEBI
Betaine monohydrateChemIDplus
(Carboxymethyl)trimethylammonium hydroxideChemIDplus
trimethylammonioacetate monohydrateChEBI
(trimethylazaniumyl)acetate hydrateChEBI
Manual XrefsDatabases
BetaineWikipedia
Registry NumbersSources
Reaxys:3626258Reaxys
CAS:590-47-6ChemIDplus
Citations