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CHEBI:94541 - (6R,7S)-7-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ChEBI IDCHEBI:94541
ChEBI Name(6R,7S)-7-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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DownloadsMolfile
FormulaC18H23N9O4S3
Net Charge0
Average Mass525.642
Monoisotopic Mass525.10351
SMILESCN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1
InChIInChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15+/m0/s1
InChIKeyQYQDKDWGWDOFFU-SWLSCSKDSA-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)
(6R,7S)-7-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEBI:94541) is a cephalosporin (CHEBI:23066)
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