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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 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 ID CHEBI:116691
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H19ClN8O4S2
Net Charge 0
Average Mass 498.970
Monoisotopic Mass 498.06592
InChI InChI=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)
InChIKey FTBJSGFGEYXEHS-UHFFFAOYSA-N
SMILES CC1=NN(C=C1Cl)C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O
Roles Classification
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
LSM-28146 LINCS
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