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CHEBI:116691 - 7-[[2-(4-chloro-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ChEBI IDCHEBI:116691
ChEBI Name7-[[2-(4-chloro-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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DownloadsMolfile
FormulaC17H19ClN8O4S2
Net Charge0
Average Mass498.978
Monoisotopic Mass498.06592
SMILESCc1nn(C(C)C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)cc1Cl
InChIInChI=1S/C17H19ClN8O4S2/c1-7-10(18)4-25(21-7)8(2)13(27)19-11-14(28)26-12(16(29)30)9(5-31-15(11)26)6-32-17-20-22-23-24(17)3/h4,8,11,15H,5-6H2,1-3H3,(H,19,27)(H,29,30)
InChIKeyFTBJSGFGEYXEHS-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-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEBI:116691) is a cephalosporin (CHEBI:23066)
Manual XrefsDatabases
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