CHEBI:16939 - 3-amino-3-(4-hydroxyphenyl)propanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-amino-3-(4-hydroxyphenyl)propanoic acid
ChEBI ID CHEBI:16939
Definition A β-amino acid comprising propionic acid having amino and 4-hydroxyphenyl groups attached at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1450, CHEBI:11757, CHEBI:19961
Supplier Information
Download Molfile XML SDF
Formula C9H11NO3
Net Charge 0
Average Mass 181.18858
Monoisotopic Mass 181.07389
InChI InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
InChIKey JYPHNHPXFNEZBR-UHFFFAOYSA-N
SMILES NC(CC(O)=O)c1ccc(O)cc1
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): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-amino-3-(4-hydroxyphenyl)propanoic acid (CHEBI:16939) has functional parent propionic acid (CHEBI:30768)
3-amino-3-(4-hydroxyphenyl)propanoic acid (CHEBI:16939) has role bacterial metabolite (CHEBI:76969)
3-amino-3-(4-hydroxyphenyl)propanoic acid (CHEBI:16939) is a β-amino acid (CHEBI:33706)
3-amino-3-(4-hydroxyphenyl)propanoic acid (CHEBI:16939) is conjugate acid of 3-amino-3-(4-hydroxyphenyl)propanoate (CHEBI:19960)
3-amino-3-(4-hydroxyphenyl)propanoic acid (CHEBI:16939) is tautomer of 3-amino-3-(4-hydroxyphenyl)propanoic acid zwitterion (CHEBI:57956)
Incoming 3-amino-3-(4-hydroxyphenyl)propanoate (CHEBI:19960) is conjugate base of 3-amino-3-(4-hydroxyphenyl)propanoic acid (CHEBI:16939)
3-amino-3-(4-hydroxyphenyl)propanoic acid zwitterion (CHEBI:57956) is tautomer of 3-amino-3-(4-hydroxyphenyl)propanoic acid (CHEBI:16939)
IUPAC Name
3-amino-3-(4-hydroxyphenyl)propanoic acid
Synonyms Sources
3-Amino-3-(4-hydroxyphenyl)propanoate KEGG COMPOUND
3-amino-3-(4-hydroxyphenyl)propionic acid ChEBI
beta-tyrosine ChEBI
beta-Tyrosine KEGG COMPOUND
Manual Xrefs Databases
C04368 KEGG COMPOUND
HMDB0003831 HMDB
View more database links
Registry Number Type Source
2097074 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16793524 PubMed citation Europe PMC
17545150 PubMed citation Europe PMC
Last Modified
07 January 2019