Summary

IMPPAT Phytochemical identifier: IMPHY000300

Phytochemical name: 3-Aminobutanoic acid

Synonymous chemical names:
3-aminobutanoic acid

External chemical identifiers:
CID:10932, ChEMBL:CHEMBL1995111, ChEBI:37081, FDASRS:4282SA5CTS, SureChEMBL:SCHEMBL44574, MolPort-001-783-150

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Chemical structure information

SMILES:
CC(CC(=O)O)N

InChI:
InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)

InChIKey:
OQEBBZSWEGYTPG-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)O)))N

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: 1.107

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Chemical structure download