Summary

IMPPAT Phytochemical identifier: IMPHY003963

Phytochemical name: Betaine

Synonymous chemical names:
betain, betaine, glycine betaine, glycine-betaine, lycine, trimethylglycine

External chemical identifiers:
CID:247, ChEMBL:CHEMBL1182, ChEBI:17750, FDASRS:3SCV180C9W, SureChEMBL:SCHEMBL7739, MolPort-003-926-438

---

Chemical structure information

SMILES:
[O-]C(=O)C[N+](C)(C)C

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

InChIKey:
KWIUHFFTVRNATP-UHFFFAOYSA-N

DeepSMILES:
[O-]C=O)C[N+]C)C)C

Functional groups:
CC(=O)[O-], C[N+](C)(C)C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.12

---

Chemical structure download