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CHEBI:23064 - cephalosporanic acid

ChEBI IDCHEBI:23064
ChEBI Namecephalosporanic acid
Stars
Last Modified20 June 2012
DownloadsMolfile
FormulaC10H11NO5S
Net Charge0
Average Mass257.267
Monoisotopic Mass257.03579
SMILES[H][C@@]12CC(=O)N1C(C(=O)O)=C(COC(C)=O)CS2
InChIInChI=1S/C10H11NO5S/c1-5(12)16-3-6-4-17-8-2-7(13)11(8)9(6)10(14)15/h8H,2-4H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyYGBFLZPYDUKSPT-MRVPVSSYSA-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)
cephalosporanic acid (CHEBI:23064) is a cephalosporin (CHEBI:23066)
Incoming Relation(s)
(7R)-7-(4-carboxybutanamido)cephalosporanic acid (CHEBI:41425) has functional parent cephalosporanic acid (CHEBI:23064)
7β-aminocephalosporanic acid (CHEBI:2255) has functional parent cephalosporanic acid (CHEBI:23064)
7β-aminodeacetoxycephalosporanic acid (CHEBI:64984) has functional parent cephalosporanic acid (CHEBI:23064)
cephalosporin C (CHEBI:15776) has functional parent cephalosporanic acid (CHEBI:23064)
IUPAC Name 
(6R)-3-[(acetyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid