CHEBI:135856 - cefbuperazone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cefbuperazone
ChEBI ID CHEBI:135856
Definition A second-generation cephamycin antibiotic having [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl and {N-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-threonyl}amino side groups located at positions 3 and 7β respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C22H29N9O9S2
Net Charge 0
Average Mass 627.654
Monoisotopic Mass 627.15297
InChI InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)/t10-,12+,19+,22-/m0/s1
InChIKey SMSRCGPDNDCXFR-CYWZMYCQSA-N
SMILES N(C([C@](NC(=O)N1C(=O)C(=O)N(CC1)CC)([C@H](C)O)[H])=O)[C@@]2(OC)[C@@]3(N(C2=O)C(C(O)=O)=C(CS3)CSC=4N(C)N=NN4)[H]
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 cefbuperazone (CHEBI:135856) is a cephalosporin (CHEBI:23066)
cefbuperazone (CHEBI:135856) is a peptide (CHEBI:16670)
IUPAC Name
(7S)-7-({N-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
INNs Sources
cefbuperazona ChEBI
cefbuperazone ChemIDplus
cefbuperazonum ChemIDplus
cerbuperazone ChemIDplus
Synonyms Sources
(6R,7S)-7-({N-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC
CBPZ KEGG DRUG
Manual Xrefs Databases
3072 DrugCentral
Cefbuperazone Wikipedia
D03423 KEGG DRUG
View more database links
Registry Numbers Types Sources
76610-84-9 CAS Registry Number ChemIDplus
76610-84-9 CAS Registry Number DrugCentral
Citations Waiting for Citations Types Sources
29017833 PubMed citation Europe PMC
8904147 PubMed citation Europe PMC
Last Modified
13 March 2018