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

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ChEBI Name 2-[1-(4-nitrobenzoyl)pyrrolidine-2-amido]benzoic acid
ChEBI ID CHEBI:183756
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H17N3O6
Net Charge 0
Average Mass 383.360
Monoisotopic Mass 383.11174
InChI InChI=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)
InChIKey IXQCQOLLSMIABK-UHFFFAOYSA-N
SMILES O=C(NC=1C(=CC=CC1)C(O)=O)C2N(CCC2)C(=O)C3=CC=C([N+]([O-])=O)C=C3
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
22369735 ChemSpider
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