CHEBI:91242 - glycine betaine hydrate

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ChEBI Name glycine betaine hydrate
ChEBI ID CHEBI:91242
Definition A hydrate that is the monohydrate form of glycine betaine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C5H13NO3
Net Charge 0
Average Mass 135.162
Monoisotopic Mass 135.08954
InChI InChI=1S/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2
InChIKey NJZRLXNBGZBREL-UHFFFAOYSA-N
SMILES [N+](C)(C)(C)CC(=O)[O-].O
Roles Classification
Biological Role(s): fundamental metabolite
Any metabolite produced by all living cells.
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ChEBI Ontology
Outgoing 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 Sources
(Carboxymethyl)trimethylammonium hydroxide ChemIDplus
(trimethylazaniumyl)acetate hydrate ChEBI
Betaine monohydrate ChemIDplus
glycine betaine monohydrate ChEBI
trimethylammonioacetate monohydrate ChEBI
Manual Xref Database
Betaine Wikipedia
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Registry Numbers Types Sources
3626258 Reaxys Registry Number Reaxys
590-47-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
19923702 PubMed citation Europe PMC
Last Modified
17 February 2016