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CHEBI:18208 - benzylpenicillin

ChEBI IDCHEBI:18208
ChEBI Namebenzylpenicillin
Stars
DefinitionA penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.
Secondary ChEBI IDsCHEBI:7962, CHEBI:14743, CHEBI:25866, CHEBI:45073
Last Modified15 November 2021
DownloadsMolfile

FormulaC16H18N2O4S
Net Charge0
Average Mass334.397
Monoisotopic Mass334.09873
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)Cc1ccccc1
InChIInChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
InChIKeyJGSARLDLIJGVTE-MBNYWOFBSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2,2-dimethyl-6β-(phenylacetamido)penam-3α-carboxylic acid
INNs  Source
benzylpenicillinKEGG DRUG
bencilpenicilina  esChemIDplus
benzylpénicilline  frChemIDplus
benzylpenicillinum  laChemIDplus
Synonyms  Source
Penicillin GKEGG COMPOUND
BenzylpenicillinKEGG COMPOUND
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidChEBI
benzylpenicillinic acidChemIDplus
PENICILLIN GPDBeChem
free penicillin IIChemIDplus
Manual XrefsDatabases
C05551KEGG COMPOUND
PNNPDBeChem
D02336KEGG DRUG
DB01053DrugBank
US3024169Patent
BenzylpenicillinWikipedia
HMDB0015186HMDB
LSM-3229LINCS
2082DrugCentral
Registry NumbersSources
Gmelin:781913Gmelin
Reaxys:44740Reaxys
CAS:61-33-6KEGG COMPOUND
CAS:61-33-6ChemIDplus
Citations