Summary

IMPPAT Phytochemical identifier: IMPHY012018

Phytochemical name: gamma-Aminobutyric acid

Synonymous chemical names:
butyric acid, 4-amino, butyric acid, gamma-amino, gaba, gamma-aminobutyric acid, gamma-butyric acid, γ-aminobutyric acid

External chemical identifiers:
CID:119, ChEMBL:CHEMBL96, ChEBI:59888, ZINC:ZINC000001532620, FDASRS:2ACZ6IPC6I, SureChEMBL:SCHEMBL4878, MolPort-000-146-216

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Chemical structure information

SMILES:
NCCCC(=O)O

InChI:
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

InChIKey:
BTCSSZJGUNDROE-UHFFFAOYSA-N

DeepSMILES:
NCCCC=O)O

Functional groups:
CC(=O)O, CN

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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: 0.976

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Chemical structure download