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CHEBI:760657 - penicillin K(1-)

Default Structure
ChEBI IDCHEBI:760657
ChEBI Namepenicillin K(1-)
Stars
Last Modified11 August 2026
Submitterabridge
DownloadsMolfile
FormulaC16H25N2O4S
Net Charge-1
Average Mass341.453
Monoisotopic Mass341.15405
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)/p-1/t11-,12+,14-/m1/s1
InChIKeyXVASOOUVMJAZNJ-MBNYWOFBSA-M
ChEBI Ontology
Outgoing Relation(s)
penicillin K(1-) (CHEBI:760657) is a penicillinate anion (CHEBI:51356)
penicillin K(1-) (CHEBI:760657) is conjugate base of Penicillin K (CHEBI:81064)
Incoming Relation(s)
Penicillin K (CHEBI:81064) is conjugate acid of penicillin K(1-) (CHEBI:760657)
Synonym  Source
octanoylpenicillinSUBMITTER
UniProt Name  Source
penicillin KUniProt