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CHEBI:114484 - 7-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ChEBI IDCHEBI:114484
ChEBI Name7-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Stars
DownloadsMolfile
FormulaC18H19ClN6O4S3
Net Charge0
Average Mass515.042
Monoisotopic Mass514.03184
SMILESCc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cn4nc(C)c(Cl)c4C)C3SC2)s1
InChIInChI=1S/C18H19ClN6O4S3/c1-7-12(19)8(2)24(23-7)4-11(26)20-13-15(27)25-14(17(28)29)10(5-30-16(13)25)6-31-18-22-21-9(3)32-18/h13,16H,4-6H2,1-3H3,(H,20,26)(H,28,29)
InChIKeyUYNAOHKTVNWMQR-UHFFFAOYSA-N
Roles Classification
Biological Roles:
drug allergen  Any drug which causes the onset of an allergic reaction.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
7-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEBI:114484) is a cephalosporin (CHEBI:23066)
Manual XrefsDatabases
LSM-25945LINCS