CHEBI:9587 - ticarcillin

ChEBI IDCHEBI:9587
ChEBI Nameticarcillin
Stars
DefinitionA penicillin compound having a 6β-[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino side-group.
Last Modified12 March 2019
DownloadsMolfile
FormulaC15H16N2O6S2
Net Charge0
Average Mass384.435
Monoisotopic Mass384.04498
SMILES[H][C@](C(=O)O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@]12[H])c1ccsc1
InChIInChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1
InChIKeyOHKOGUYZJXTSFX-KZFFXBSXSA-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).
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:
antibacterial drug  A drug used to treat or prevent bacterial infections.
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.
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.
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.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
ticarcillin (CHEBI:9587) has role antibacterial drug (CHEBI:36047)
ticarcillin (CHEBI:9587) is a penicillin (CHEBI:17334)
ticarcillin (CHEBI:9587) is a penicillin allergen (CHEBI:88187)
ticarcillin (CHEBI:9587) is conjugate acid of ticarcillin(2−) (CHEBI:51811)
Incoming Relation(s)
ticarcillin(2−) (CHEBI:51811) is conjugate base of ticarcillin (CHEBI:9587)
IUPAC Name 
6β-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3α-carboxylic acid
INNs  Source
ticarcilinaChemIDplus
ticarcillinChemIDplus
ticarcillineChemIDplus
ticarcillinumChemIDplus
Synonyms  Source
(2S,5R,6R)-6-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidIUPAC
α-carboxy-3-thienylmethylpenicillinPatent
Manual XrefsDatabases
2656DrugCentral
BE646991Patent
C07139KEGG COMPOUND
D08593KEGG DRUG
DB01607DrugBank
TicarcillinWikipedia
US3282926Patent
Registry NumbersSources
Reaxys:6009447Reaxys
CAS:34787-01-4KEGG COMPOUND
CAS:34787-01-4ChemIDplus
Citations