FComEx: 4-(1-Guanidino)butyric acid (PC000673)

Record Information

Version

1.0

Creation date

2015-10-09 22:31:53 UTC

Update date

2017-01-19 02:36:32 UTC

FoodComEx ID

PC000673

FoodDB Record

FDB002246

Chemical Information

Name

4-(1-Guanidino)butyric acid

Description

4-Guanidinobutanoic acid, also known as gamma-guanidinobutyrate or 4-(carbamimidamido)butanoate, belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. 4-Guanidinobutanoic acid is a very strong basic compound (based on its pKa). 4-Guanidinobutanoic acid exists in all eukaryotes, ranging from yeast to humans. Outside of the human body, 4-Guanidinobutanoic acid has been detected, but not quantified in, a few different foods, such as apples, french plantains, and loquats. This could make 4-guanidinobutanoic acid a potential biomarker for the consumption of these foods. The 4-guanidino derivative of butanoic acid.

CAS Number

463-00-3

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
4-(1-Guanidino)butyric acid, 8CI	db_source
4-(Carbamimidamido)butanoate	HMDB
4-(Carbamimidamido)butanoic acid	HMDB
4-[(Aminoiminomethyl)amino]butanoic acid, 9CI	db_source
4-Guanidinobutanoate	ChEBI
4-Guanidinobutyrate	Generator
4-Guanidinobutyric acid	ChEBI
g-Guanidinobutyrate	Generator
g-Guanidinobutyric acid	Generator
gamma-Guanidinobutyrate	ChEBI
gamma-Guanidinobutyric acid	Generator
GGBA	db_source
γ-guanidinobutyrate	Generator
γ-guanidinobutyric acid	Generator

Chemical Formula

C5H11N3O2

IUPAC name

4-[(diaminomethylidene)amino]butanoic acid

InChI Identifier

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

InChI Key

TUHVEAJXIMEOSA-UHFFFAOYSA-N

Isomeric SMILES

NC(N)=NCCCC(O)=O

Average Molecular Weight

145.1597

Monoisotopic Molecular Weight

145.085126611

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Gamma amino acids and derivatives

Alternative Parents