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CHEBI:201488 - Cephalosporin C sodium salt

ChEBI IDCHEBI:201488
ChEBI NameCephalosporin C sodium salt
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SubmitterMetaboLights
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FormulaC16H20N3O8S.Na
Net Charge0
Average Mass437.406
Monoisotopic Mass437.08688
SMILESCC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)CCCC(N)C(=O)O)C2SC1.[Na+]
InChIInChI=1S/C16H21N3O8S.Na/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/q;+1/p-1
InChIKeyHZWLVUKHUSRPCG-UHFFFAOYSA-M
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)
Cephalosporin C sodium salt (CHEBI:201488) is a cephalosporin (CHEBI:23066)
IUPAC Name 
sodium;(6R,7R)-3-(acetyloxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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