CHEBI:135437 - cefacetrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cefacetrile
ChEBI ID CHEBI:135437
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H13N3O6S
Net Charge 0
Average Mass 339.325
Monoisotopic Mass 339.05251
InChI InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1
InChIKey RRYMAQUWDLIUPV-BXKDBHETSA-N
SMILES C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(CC#N)=O)(SCC1COC(C)=O)[H]
Roles Classification
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cefacetrile (CHEBI:135437) is a cephalosporin (CHEBI:23066)
Synonyms Sources
cefacetrile sodium DrugCentral
cephacetril DrugCentral
cephacetrile DrugCentral
Manual Xrefs Databases
524 DrugCentral
HMDB0015484 HMDB
View more database links
Registry Number Type Source
10206-21-0 CAS Registry Number DrugCentral
Last Modified
23 February 2017