CHEBI:31444 - cyclacillin

ChEBI IDCHEBI:31444
ChEBI Namecyclacillin
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Last Modified22 February 2017
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FormulaC15H23N3O4S
Net Charge0
Average Mass341.433
Monoisotopic Mass341.14093
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1
InChIKeyHGBLNBBNRORJKI-WCABBAIRSA-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:
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.
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)
cyclacillin (CHEBI:31444) has role antibacterial drug (CHEBI:36047)
cyclacillin (CHEBI:31444) is a penicillin (CHEBI:17334)
IUPAC Name 
6β-(1-aminocyclohexanecarboxamido)-2,2-dimethylpenam-3α-carboxylic acid
INNs  Source
ciclacilinaChemIDplus
ciclacillineChemIDplus
ciclacillinumChemIDplus
ciclacillinKEGG DRUG
Synonyms  Source
CyclacillinKEGG COMPOUND
(2S,5R,6R)-6-{[(1-aminocyclohexyl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidIUPAC
(1-aminocyclohexyl)penicillinChemIDplus
6-(1-aminocyclohexylcarboxamido)penicillanic acidChemIDplus
6-(1-aminocyclohexanecarboxamido)penicillanic acidChemIDplus
Brand Names  Source
WyvitalDrugBank
Cyclapen-WKEGG DRUG
VastcillinKEGG DRUG
BastcillinDrugBank
CalthorDrugBank
CitosarinDrugBank
Manual XrefsDatabases
C12766KEGG COMPOUND
DB01000DrugBank
D01334KEGG DRUG
US3194802Patent
DE1800698Patent
US3478018Patent
LSM-3987LINCS
632DrugCentral
Registry NumbersSources
Beilstein:849154Beilstein
CAS:3485-14-1KEGG COMPOUND
CAS:3485-14-1ChemIDplus