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

ChEBI IDCHEBI:170035
ChEBI Name5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O5
Net Charge0
Average Mass370.405
Monoisotopic Mass370.15287
SMILESO=C(O)CC(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=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)
InChIKeyZRWCVASLBYKEPY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
2090681ChemSpider