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CHEBI:81065 - Penicillin X

ChEBI IDCHEBI:81065
ChEBI NamePenicillin X
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FormulaC16H18N2O5S
Net Charge0
Average Mass350.396
Monoisotopic Mass350.09364
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1
InChIKeyAZCVBVRUYHKWHU-MBNYWOFBSA-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)
Penicillin X (CHEBI:81065) is a penicillin (CHEBI:17334)
Manual XrefsDatabases
C17404KEGG COMPOUND
Registry NumbersSources
CAS:525-91-7KEGG COMPOUND