CHEBI:107394 - 4-[5-(carboxymethyl)-4-phenyl-2-thiazolyl]benzoic acid

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ChEBI Name 4-[5-(carboxymethyl)-4-phenyl-2-thiazolyl]benzoic acid
ChEBI ID CHEBI:107394
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H13NO4S
Net Charge 0
Average Mass 339.367
Monoisotopic Mass 339.05653
InChI InChI=1S/C18H13NO4S/c20-15(21)10-14-16(11-4-2-1-3-5-11)19-17(24-14)12-6-8-13(9-7-12)18(22)23/h1-9H,10H2,(H,20,21)(H,22,23)
InChIKey IAQPAVNNMOSSAZ-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=C(C=C3)C(=O)O)CC(=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-[5-(carboxymethyl)-4-phenyl-2-thiazolyl]benzoic acid (CHEBI:107394) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-18748 LINCS
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