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CHEBI:142394 - 3-[(3-aminopropyl)amino]-4-hydroxybenzoic acid

ChEBI IDCHEBI:142394
ChEBI Name3-[(3-aminopropyl)amino]-4-hydroxybenzoic acid
Stars
DefinitionA monohydroxybenzoic acid that is 3-amino-4-hydroxybenzoic acid in which one of the hydrogens attached to the amino group has been replaced by a 3-aminopropyl group. Derivative of aminohydroxybenzoic acid, a novel and abundant metabolite found in Acinetobacter baylyi ADP1 grown on quinate carbon source.
Last Modified17 August 2023
SubmitterUMR8030-Genomique Metabolique, Genoscope, Institut Francois Jacob, CEA
DownloadsMolfile
FormulaC10H14N2O3
Net Charge0
Average Mass210.233
Monoisotopic Mass210.10044
SMILESNCCCNc1cc(C(=O)O)ccc1O
InChIInChI=1S/C10H14N2O3/c11-4-1-5-12-8-6-7(10(14)15)2-3-9(8)13/h2-3,6,12-13H,1,4-5,11H2,(H,14,15)
InChIKeyWASZXVMLVDQNDE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Acinetobacter baylyi ADP1 (ncbitaxon:62977) - Article (15514110 )
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:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-[(3-aminopropyl)amino]-4-hydroxybenzoic acid (CHEBI:142394) has functional parent 3-amino-4-hydroxybenzoic acid (CHEBI:29476)
3-[(3-aminopropyl)amino]-4-hydroxybenzoic acid (CHEBI:142394) has role bacterial metabolite (CHEBI:76969)
3-[(3-aminopropyl)amino]-4-hydroxybenzoic acid (CHEBI:142394) is a monohydroxybenzoic acid (CHEBI:25389)
3-[(3-aminopropyl)amino]-4-hydroxybenzoic acid (CHEBI:142394) is a primary amino compound (CHEBI:50994)
3-[(3-aminopropyl)amino]-4-hydroxybenzoic acid (CHEBI:142394) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
3-[(3-aminopropyl)amino]-4-hydroxybenzoic acid
Synonyms  Source
APAHSUBMITTER
3-((3-aminopropyl)amino)-4-hydroxybenzoic acidChEBI
Citations