CHEBI:116318 - 2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic acid

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ChEBI Name 2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic acid
ChEBI ID CHEBI:116318
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H10N2O4S
Net Charge 0
Average Mass 254.264
Monoisotopic Mass 254.03613
InChI InChI=1S/C10H10N2O4S/c11-10(16)17-5-8(13)12-7-4-2-1-3-6(7)9(14)15/h1-4H,5H2,(H2,11,16)(H,12,13)(H,14,15)
InChIKey NWUAPELPCMQTDN-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC(=O)N
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 2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic acid (CHEBI:116318) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-27772 LINCS
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