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CHEBI:94753 - (6R,7S)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[[(2R)-1-oxo-2-phenyl-2-sulfoethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ChEBI IDCHEBI:94753
ChEBI Name(6R,7S)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[[(2R)-1-oxo-2-phenyl-2-sulfoethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Stars
DownloadsMolfile
FormulaC22H21N4O8S2
Net Charge+1
Average Mass533.564
Monoisotopic Mass533.07953
SMILESNC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)O)[C@H]3SC2)cc1
InChIInChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1/t15-,17+,21+/m0/s1
InChIKeySYLKGLMBLAAGSC-LUQKVYGDSA-O
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)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[[(2R)-1-oxo-2-phenyl-2-sulfoethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEBI:94753) is a cephalosporin (CHEBI:23066)
Manual XrefsDatabases
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