Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000819

Phytochemical name: gamma-Aminobutyric acid

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

External chemical identifiers:
CID:CID_119, ChEMBL:CHEMBL96, ChEBI: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:
CN, CC(=O)O

Link to spectral information:
MSBNK-NAIST-KNA00006, MSBNK-NAIST-KNA00007, MSBNK-NAIST-KNA00316, MSBNK-NAIST-KNA00317, MSBNK-Osaka_Univ-OUF00061, MSBNK-RIKEN_ReSpect-PS038901, MSBNK-RIKEN-PR100220, MSBNK-RIKEN_ReSpect-PS038902, MSBNK-RIKEN_ReSpect-PS038905, MSBNK-NAIST-KNA00005, MSBNK-RIKEN-PR010215, MSBNK-MSSJ-MSJ02373, MSBNK-Keio_Univ-KO000001, MSBNK-MSSJ-MSJ02371, MSBNK-GL_Sciences_Inc-GLS00055, MSBNK-Keio_Univ-KO000003, MSBNK-Keio_Univ-KO002028, MSBNK-Keio_Univ-KO002029, MSBNK-Keio_Univ-KO000002, MSBNK-Keio_Univ-KO002031, MSBNK-Keio_Univ-KO002032, MSBNK-MSSJ-MSJ02370, MSBNK-Keio_Univ-KO002030, MSBNK-MSSJ-MSJ02372

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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