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CHEBI:9322 - sulbenicillin

ChEBI IDCHEBI:9322
ChEBI Namesulbenicillin
Stars
DefinitionA penicillin antibiotic having a 6β-[phenyl(sulfo)acetamido] side-chain.
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H18N2O7S2
Net Charge0
Average Mass414.461
Monoisotopic Mass414.05554
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)C(c1ccccc1)S(=O)(=O)O
InChIInChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10?,11+,14-/m1/s1
InChIKeyJETQIUPBHQNHNZ-OAYJICASSA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
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.
ChEBI Ontology
Outgoing Relation(s)
sulbenicillin (CHEBI:9322) is a penicillin (CHEBI:17334)
sulbenicillin (CHEBI:9322) is conjugate acid of sulbenicillin(2−) (CHEBI:52436)
Incoming Relation(s)
sulbenicillin(2−) (CHEBI:52436) is conjugate base of sulbenicillin (CHEBI:9322)
sulbenicilloyl group (CHEBI:55459) is substituent group from sulbenicillin (CHEBI:9322)
IUPAC Name 
6β-[phenyl(sulfo)acetamido]-2,2-dimethylpenam-3α-carboxylic acid
INNs  Source
sulbenicilinaChemIDplus
sulbenicillinKEGG DRUG
sulbenicillineChemIDplus
sulbenicillinumChemIDplus
Synonyms  Source
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[phenyl(sulfo)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidIUPAC
SBPCChEBI
SulbenicillinKEGG COMPOUND
Manual XrefsDatabases
C11170KEGG COMPOUND
D08534KEGG DRUG
DE1948943Patent
SulbenicillinWikipedia
US3660379Patent
Registry NumbersSources
Reaxys:1186914Reaxys
CAS:41744-40-5KEGG COMPOUND
Citations