CHEBI:94094 - 4-[[2-butyl-5-(2-carboxy-3-thiophen-2-ylprop-1-enyl)-1-imidazolyl]methyl]benzoic acid

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ChEBI Name 4-[[2-butyl-5-(2-carboxy-3-thiophen-2-ylprop-1-enyl)-1-imidazolyl]methyl]benzoic acid
ChEBI ID CHEBI:94094
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H24N2O4S
Net Charge 0
Average Mass 424.515
Monoisotopic Mass 424.14568
InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)
InChIKey OROAFUQRIXKEMV-UHFFFAOYSA-N
SMILES CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-[[2-butyl-5-(2-carboxy-3-thiophen-2-ylprop-1-enyl)-1-imidazolyl]methyl]benzoic acid (CHEBI:94094) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-4700 LINCS
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