CHEBI:51758 - azidocillin

ChEBI IDCHEBI:51758
ChEBI Nameazidocillin
Stars
Last Modified22 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H17N5O4S
Net Charge0
Average Mass375.410
Monoisotopic Mass375.10013
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1
InChIKeyODFHGIPNGIAMDK-NJBDSQKTSA-N
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)
azidocillin (CHEBI:51758) is a penicillin (CHEBI:17334)
azidocillin (CHEBI:51758) is conjugate acid of azidocillin(1−) (CHEBI:51762)
Incoming Relation(s)
azidocillin(1−) (CHEBI:51762) is conjugate base of azidocillin (CHEBI:51758)
azidocilloyl group (CHEBI:58977) is substituent group from azidocillin (CHEBI:51758)
IUPAC Name 
2,2-dimethyl-6β-[(2R)-2-azido-2-phenylacetamido]penam-3α-carboxylic acid
INNs  Source
azidocilinaChemIDplus
azidocillineChemIDplus
Synonyms  Source
azidocillinumChemIDplus
azidocillinChemIDplus
(2S,5R,6R)-6-{[(2R)-2-azido-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidIUPAC
D-(−)-(α-azidobenzyl)penicillinChemIDplus
Manual XrefsDatabases
GB940488Patent
US3293242Patent
DB08795DrugBank
273DrugCentral
Registry NumbersSources
CAS:17243-38-8ChemIDplus