CHEBI:31263 - bentiromide

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ChEBI Name bentiromide
ChEBI ID CHEBI:31263
Definition The dipeptide obtained by condensation of N-benzoyl-L-tyrosine with 4-aminobenzoic acid. Used as a noninvasive screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy, it is given by mouth: the amount of 4-aminobenzoic acid and its metabolites excreted in the urine is taken as a measure of the chymotrypsin-secreting activity of the pancreas.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H20N2O5
Net Charge 0
Average Mass 404.41530
Monoisotopic Mass 404.137
InChI InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)/t20-/m0/s1
InChIKey SPPTWHFVYKCNNK-FQEVSTJZSA-N
SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): reagent
A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
indicator
Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc.
diagnostic agent
A substance administered to aid diagnosis of a disease.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bentiromide (CHEBI:31263) has role diagnostic agent (CHEBI:33295)
bentiromide (CHEBI:31263) has role indicator (CHEBI:47867)
bentiromide (CHEBI:31263) has role reagent (CHEBI:33893)
bentiromide (CHEBI:31263) is a dipeptide (CHEBI:46761)
IUPAC Name
4-[(N-benzoyl-L-tyrosyl)amino]benzoic acid
INNs Sources
bentiromide ChemIDplus
bentiromido ChemIDplus
bentiromidum ChemIDplus
Synonyms Sources
(S)-4-((2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic acid ChemIDplus
(S)-p-(α-benzamido-p-hydroxyhydrocinnamamido)benzoic acid ChemIDplus
4-(N-benzoyl-L-tyrosylamino)benzoic acid ChEBI
benzoyltyrosyl-p-aminobenzoic acid ChemIDplus
BT-PABA ChEBI
BTPABA DrugBank
N-benzoyl-L-tyrosyl-p-aminobenzoate ChemIDplus
N-benzoyl-L-tyrosyl-p-aminobenzoic acid ChemIDplus
PFD DrugBank
PFT DrugBank
Database Links Databases
316 DrugCentral
Bentiromide Wikipedia
D01346 KEGG DRUG
DB00522 DrugBank
DE2156835 Patent
US3801562 Patent
View more database links
Registry Numbers Types Sources
2910938 Beilstein Registry Number Beilstein
37106-97-1 CAS Registry Number KEGG DRUG
Last Modified
22 February 2017