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CHEBI:32980 - phloretic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name phloretic acid
ChEBI ID CHEBI:32980
Definition A hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43113, CHEBI:8110, CHEBI:19934
Supplier Information
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Formula C9H10O3
Net Charge 0
Average Mass 166.17390
Monoisotopic Mass 166.063
InChI InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKey NMHMNPHRMNGLLB-UHFFFAOYSA-N
SMILES OC(=O)CCc1ccc(O)cc1
Metabolite of Species Details
Lepisorus contortus (NCBI:699669) Found in whole plant (BTO:0001461). 95% EtOH extract of air-dried, powdered whole plant See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing phloretic acid (CHEBI:32980) has functional parent propionic acid (CHEBI:30768)
phloretic acid (CHEBI:32980) has role plant metabolite (CHEBI:76924)
phloretic acid (CHEBI:32980) is a hydroxy monocarboxylic acid (CHEBI:35868)
phloretic acid (CHEBI:32980) is conjugate acid of phloretate (CHEBI:16331)
Incoming phloretate (CHEBI:16331) is conjugate base of phloretic acid (CHEBI:32980)
IUPAC Name
3-(4-hydroxyphenyl)propanoic acid
Synonyms Sources
3-(4-Hydroxyphenyl)propionic acid KEGG COMPOUND
3-(p-hydroxyphenyl)propionic acid NIST Chemistry WebBook
4-Hydroxyphenylpropionic acid NIST Chemistry WebBook
β-(p-hydroxyphenyl)propionic acid NIST Chemistry WebBook
desaminotyrosine ChEBI
Dihydro-p-coumaric acid HMDB
HYDROXYPHENYL PROPIONIC ACID PDBeChem
p-Hydroxyhydrocinnamic acid HMDB
p-hydroxyphenylpropionic acid HMDB
Phloretic acid KEGG COMPOUND
Phloretinic acid HMDB
Database Links Databases
C00029471 KNApSAcK
C01744 KEGG COMPOUND
DB03897 DrugBank
HMDB02199 HMDB
HPP PDBeChem
View more database links
Registry Numbers Types Sources
2209841 Beilstein Registry Number ChemIDplus
2209841 Reaxys Registry Number Reaxys
501-97-3 CAS Registry Number KEGG COMPOUND
501-97-3 CAS Registry Number NIST Chemistry WebBook
501-97-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1623136 PubMed citation Europe PMC
16656273 PubMed citation Europe PMC
17190852 PubMed citation Europe PMC
19176242 PubMed citation Europe PMC
21109029 PubMed citation Europe PMC
21141880 PubMed citation Europe PMC
5354935 PubMed citation Europe PMC
6531939 PubMed citation Europe PMC
Last Modified
23 October 2015