Summary

IMPPAT Phytochemical identifier: IMPHY009825

Phytochemical name: 4-Guanidinobutyric acid

Synonymous chemical names:
γ-guanidinobutyric acid

External chemical identifiers:
CID:500, ChEMBL:CHEMBL21157, ChEBI:86564, ZINC:ZINC000001532820, FDASRS:15ADP48O8Q, SureChEMBL:SCHEMBL33717, MolPort-003-935-409

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Chemical structure information

SMILES:
OC(=O)CCCN=C(N)N

InChI:
InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)

InChIKey:
TUHVEAJXIMEOSA-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCN=CN)N

Functional groups:
CC(=O)O, CN=C(N)N

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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: 1.302

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Chemical structure download