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CHEBI:75145 - 2-aminooctanoic acid

ChEBI IDCHEBI:75145
ChEBI Name2-aminooctanoic acid
Stars
DefinitionAn α-amino fatty acid that is caprylic acid which is substituted at position 2 by an amino group.
Last Modified16 October 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H17NO2
Net Charge0
Average Mass159.229
Monoisotopic Mass159.12593
SMILESCCCCCCC(N)C(=O)O
InChIInChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
InChIKeyAKVBCGQVQXPRLD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS90) Found in human blood serum.
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:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-aminooctanoic acid (CHEBI:75145) has role human metabolite (CHEBI:77746)
2-aminooctanoic acid (CHEBI:75145) is a α-amino fatty acid (CHEBI:59755)
2-aminooctanoic acid (CHEBI:75145) is conjugate acid of 2-aminooctanoate (CHEBI:142420)
2-aminooctanoic acid (CHEBI:75145) is conjugate base of 1-carboxyheptan-1-aminium (CHEBI:142421)
2-aminooctanoic acid (CHEBI:75145) is tautomer of 2-aminooctanoic acid zwitterion (CHEBI:133660)
Incoming Relation(s)
1-carboxyheptan-1-aminium (CHEBI:142421) is conjugate acid of 2-aminooctanoic acid (CHEBI:75145)
2-aminooctanoate (CHEBI:142420) is conjugate base of 2-aminooctanoic acid (CHEBI:75145)
2-aminooctanoic acid zwitterion (CHEBI:133660) is tautomer of 2-aminooctanoic acid (CHEBI:75145)
Synonyms  Source
α-aminocaprylic acidChEBI
α-aminooctanoic acidChEBI
2-amino-DL-caprylic acidChemIDplus
(+/-)-2-aminooctanoic acidChemIDplus
(±)-2-aminooctanoic acidChemIDplus
2-aminocaprylic acidChEBI
Manual XrefsDatabases
HMDB0000991HMDB
LMFA01100056LIPID MAPS
CPD-3687MetaCyc
Registry NumbersSources
Reaxys:1722614Reaxys
CAS:644-90-6ChemIDplus
CAS:644-90-6NIST Chemistry WebBook
Citations