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> Main
CHEBI:73739 - 3-aminooctanoic acid
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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.
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Formula
C8H17NO2
Net Charge
0
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 (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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.
View more via ChEBI Ontology
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
Synonyms
Sources
3-aminocaprylic acid
ChEBI
β-aminocaprylic acid
ChEBI
β-aminooctanoic acid
ChEBI
Manual Xref
Database
LMFA01100020
LIPID MAPS
View more database links
Registry Number
Type
Source
1760758
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12423153
PubMed citation
Europe PMC
1429232
PubMed citation
Europe PMC
Last Modified
12 September 2013