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CHEBI:81064 - Penicillin K

ChEBI IDCHEBI:81064
ChEBI NamePenicillin K
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DownloadsMolfile
FormulaC16H26N2O4S
Net Charge0
Average Mass342.461
Monoisotopic Mass342.16133
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)CCCCCCC
InChIInChI=1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
InChIKeyXVASOOUVMJAZNJ-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 K (CHEBI:81064) is a penicillin (CHEBI:17334)
Synonym  Source
Penicillin AKEGG COMPOUND
Manual XrefsDatabases
C17403KEGG COMPOUND
Registry NumbersSources
CAS:525-97-3KEGG COMPOUND