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CHEBI:199093 - Adipyl-7-aminocephalosporanic acid

ChEBI IDCHEBI:199093
ChEBI NameAdipyl-7-aminocephalosporanic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2O8S
Net Charge0
Average Mass400.409
Monoisotopic Mass400.09404
SMILESCC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCCCC(=O)O)[C@H]2SC1
InChIInChI=1S/C16H20N2O8S/c1-8(19)26-6-9-7-27-15-12(14(23)18(15)13(9)16(24)25)17-10(20)4-2-3-5-11(21)22/h12,15H,2-7H2,1H3,(H,17,20)(H,21,22)(H,24,25)/t12-,15-/m1/s1
InChIKeySDDISZQGGKXBSJ-IUODEOHRSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (7775275)
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)
Adipyl-7-aminocephalosporanic acid (CHEBI:199093) is a cephalosporin (CHEBI:23066)
IUPAC Name 
(6R,7R)-3-(acetyloxymethyl)-7-(5-carboxypentanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Manual XrefsDatabases
8062888ChemSpider