3-(2-hydroxyphenyl)propanoate (CHEBI:46957)

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ChEBI Name	3-(2-hydroxyphenyl)propanoate

ChEBI ID	CHEBI:46957

Definition	A monocarboxylic acid anion that is obtained by removal of a proton from the carbosylic acid group of 3-(2-hydroxyphenyl)propanoic acid.

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

Secondary ChEBI IDs	CHEBI:11719, CHEBI:14578

Supplier Information	ChemicalBook:CB22657057, ChemicalBook:CB12566507, eMolecules:26937692, ZINC000013514412

Download	Molfile XML SDF

Formula

C9H9O3

Net Charge

-1

Average Mass

165.16596

Monoisotopic Mass

165.05572

InChI

InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)/p-1

InChIKey

CJBDUOMQLFKVQC-UHFFFAOYSA-M

SMILES

Oc1ccccc1CCC([O-])=O

Roles Classification
Biological Role(s):	bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. fungal xenobiotic metabolite Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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	3-(2-hydroxyphenyl)propanoate (CHEBI:46957) has functional parent propionate (CHEBI:17272) 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) has role bacterial xenobiotic metabolite (CHEBI:76976) 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) has role fungal xenobiotic metabolite (CHEBI:76968) 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) has role human xenobiotic metabolite (CHEBI:76967) 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) has role plant metabolite (CHEBI:76924) 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) is a monocarboxylic acid anion (CHEBI:35757) 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) is conjugate base of 3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104)

Incoming	3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) is conjugate acid of 3-(2-hydroxyphenyl)propanoate (CHEBI:46957)

Registry Number	Type	Source
3905812	Reaxys Registry Number	Reaxys

Last Modified

13 November 2017