4-methoxyphenylacetic acid (CHEBI:55501)

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ChEBI Name	4-methoxyphenylacetic acid

ChEBI ID	CHEBI:55501

Definition	A monocarboxylic acid that is phenylacetic acid carrying a 4-methoxy substituent. It is used as an intermediate for pharmaceuticals and other organic synthesis. It has been found to inhibit the germination of cress and lettuce seeds.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C9H10O3

Net Charge

Average Mass

166.17390

Monoisotopic Mass

166.06299

InChI

InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

NRPFNQUDKRYCNX-UHFFFAOYSA-N

SMILES

COc1ccc(CC(O)=O)cc1

Metabolite of Species	Details
Berberis koreana (NCBI:txid211974)	extracted from the trunk See: PubMed
Aspergillus niger (NCBI:txid5061)	of strain var. Tieghem. See: Phytochemistry, 1988, 27(10), 3169-3173
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). 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. plant growth retardant Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .

ChEBI Ontology
Outgoing	4-methoxyphenylacetic acid (CHEBI:55501) has role Aspergillus metabolite (CHEBI:76956) 4-methoxyphenylacetic acid (CHEBI:55501) has role plant growth retardant (CHEBI:35219) 4-methoxyphenylacetic acid (CHEBI:55501) has role plant metabolite (CHEBI:76924) 4-methoxyphenylacetic acid (CHEBI:55501) is a monocarboxylic acid (CHEBI:25384) 4-methoxyphenylacetic acid (CHEBI:55501) is a monomethoxybenzene (CHEBI:25235)

IUPAC Name

(4-methoxyphenyl)acetic acid

Last Modified

17 February 2016