3-aminooctanoic acid (CHEBI:73739)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	3-aminooctanoic acid

ChEBI ID	CHEBI:73739

Definition	A β-amino acid that is caprylic acid which is substituted by an amino group at position 3.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H17NO2

Net Charge

Average Mass

159.22610

Monoisotopic Mass

159.12593

InChI

InChI=1S/C8H17NO2/c1-2-3-4-5-7(9)6-8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

InChIKey

FYHHDJRMDOBZJF-UHFFFAOYSA-N

SMILES

CCCCCC(N)CC(O)=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	3-aminooctanoic acid (CHEBI:73739) has functional parent octanoic acid (CHEBI:28837) 3-aminooctanoic acid (CHEBI:73739) has role metabolite (CHEBI:25212) 3-aminooctanoic acid (CHEBI:73739) is a β-amino acid (CHEBI:33706) 3-aminooctanoic acid (CHEBI:73739) is a β-amino-fatty acid (CHEBI:59754)

IUPAC Name

3-aminooctanoic acid

Registry Number	Type	Source
1760758	Reaxys Registry Number	Reaxys

Last Modified

12 September 2013