Ethyl 1-benzyl-3-hydroxy- 2-oxo[5H]pyrrole-4-carboxylate (CHEBI:190040)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Ethyl 1-benzyl-3-hydroxy- 2-oxo[5H]pyrrole-4-carboxylate

ChEBI ID	CHEBI:190040

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H15NO4

Net Charge

Average Mass

261.277

Monoisotopic Mass

261.10011

InChI

InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,16H,2,8-9H2,1H3

InChIKey

IGYRPDIWSYGHMY-UHFFFAOYSA-N

SMILES

OC1=C(CN(CC2=CC=CC=C2)C1=O)C(OCC)=O

Metabolite of Species	Details
Brassica napus (NCBI:txid3708)	Found in flower (BTO:0000469). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Ethyl 1-benzyl-3-hydroxy- 2-oxo[5H]pyrrole-4-carboxylate (CHEBI:190040) is a carboxylic acid (CHEBI:33575) Ethyl 1-benzyl-3-hydroxy- 2-oxo[5H]pyrrole-4-carboxylate (CHEBI:190040) is a pyrroline (CHEBI:23763)

IUPAC Name

ethyl 1-benzyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate

Registry Number	Type	Source
4450-98-0	CAS Registry Number	ChemIDplus