5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid (CHEBI:170035)

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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	5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid

ChEBI ID	CHEBI:170035

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H22N2O5

Net Charge

Average Mass

370.405

Monoisotopic Mass

370.15287

InChI

InChI=1S/C20H22N2O5/c23-18(13-16(14-19(24)25)15-5-2-1-3-6-15)21-8-10-22(11-9-21)20(26)17-7-4-12-27-17/h1-7,12,16H,8-11,13-14H2,(H,24,25)

InChIKey

ZRWCVASLBYKEPY-UHFFFAOYSA-N

SMILES

O=C(N1CCN(CC1)C(=O)C=2OC=CC2)CC(CC(O)=O)C3=CC=CC=C3

Metabolite of Species	Details
Culture Media	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Pseudomonas aeruginosa/Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (D017077). of strain Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (D017077). of strain [] 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	5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid (CHEBI:170035) is a benzenes (CHEBI:22712) 5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid (CHEBI:170035) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

5-[4-(uran-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid