glycine betaine

Chemical Formula:

C₅H₁₁NO₂

Molecular Weight:

117.147 Daltons

Monoisotopic Mass:

118.0868036346 Daltons

SMILES:

C[N+](C)(CC([O-])=O)C

InChI:

1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3

InChIKey:

KWIUHFFTVRNATP-UHFFFAOYSA-N

Synonyms

oxyneurine
lycine
acidin-pepsin
betaine
trimethylammonioacetate
N,N,N-trimethylglycine

Databases

MetaCyc: BETAINE

RefMet: Betaine

BiGG: glyb

MetaboLights: MTBLC17750

HMDB: HMDB00043

ChemSpider: 242

PubChem (CID): 247

ChEBI: 17750

KEGG: C00719

CAS: 107-43-7

Seed: cpd00540

MetaNetX: MNXM289

PupChem (SID): 3985

CHEMBL: CHEMBL1182 CHEMBL95889

KNApSAcK: C00007291

PDB-CCD: BET

3DMET: B01318

NIKKAJI: J5.058J