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CHEBI:183756 - 2-[1-(4-nitrobenzoyl)pyrrolidine-2-amido]benzoic acid

ChEBI IDCHEBI:183756
ChEBI Name2-[1-(4-nitrobenzoyl)pyrrolidine-2-amido]benzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17N3O6
Net Charge0
Average Mass383.360
Monoisotopic Mass383.11174
SMILESO=C(O)c1ccccc1NC(=O)C1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H17N3O6/c23-17(20-15-5-2-1-4-14(15)19(25)26)16-6-3-11-21(16)18(24)12-7-9-13(10-8-12)22(27)28/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,23)(H,25,26)
InChIKeyIXQCQOLLSMIABK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[1-(4-nitrobenzoyl)pyrrolidine-2-amido]benzoic acid (CHEBI:183756) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
2-[[1-(4-nitrobenzoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
Manual XrefsDatabases
22369735ChemSpider