betaine aldehyde

Chemical Formula:

C₅H₁₂NO

Molecular Weight:

102.156 Daltons

Monoisotopic Mass:

102.0918890125 Daltons

SMILES:

C[N+](C)(C[CH]=O)C

InChI:

1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1

InChIKey:

SXKNCCSPZDCRFD-UHFFFAOYSA-N

Synonyms

glycine betaine aldehyde
N,N,N-trimethyl-2-oxoethylammonium

Databases

MetaCyc: BETAINE_ALDEHYDE

BiGG: betald

MetaboLights: MTBLC15710

HMDB: HMDB01252

DRUGBANK: DB04401

ChemSpider: 244

PubChem (CID): 249

ChEBI: 15710

KEGG: C00576

CAS: 7418-61-3

RefMet: Betaine aldehyde

Reactome: 6798194

Seed: cpd00447

MetaNetX: MNXM457

PupChem (SID): 3855

CHEMBL: CHEMBL1231491

PDB-CCD: BTL

3DMET: B00136

NIKKAJI: J413.989E