phloretic acid (CHEBI:32980)

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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

Download	Molfile XML SDF

Formula

C9H10O3

Net Charge

Average Mass

166.17390

Monoisotopic Mass

166.06299

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:txid699669)	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.

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	methyl 3-(4-hydroxyphenyl)propionate (CHEBI:176565) has functional parent phloretic acid (CHEBI:32980) 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

Last Modified

22 June 2021