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CHEBI:73739 - 3-aminooctanoic acid

ChEBI IDCHEBI:73739
ChEBI Name3-aminooctanoic acid
Stars
DefinitionA β-amino acid that is caprylic acid which is substituted by an amino group at position 3.
Last Modified12 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC8H17NO2
Net Charge0
Average Mass159.229
Monoisotopic Mass159.12593
SMILESCCCCCC(N)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-2-3-4-5-7(9)6-8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
InChIKeyFYHHDJRMDOBZJF-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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
Synonyms  Source
3-aminocaprylic acidChEBI
β-aminocaprylic acidChEBI
β-aminooctanoic acidChEBI
Manual XrefsDatabases
LMFA01100020LIPID MAPS
Registry NumbersSources
Reaxys:1760758Reaxys
Citations