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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_18208
http://purl.obolibrary.org/obo/CHEBI_18208
|
|---|---|
| Preferred Name | benzylpenicillin |
| Definitions |
A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.
|
| Synonyms |
bencilpenicilina
benzylpenicilline
Penicillin G
benzyl benicillin
PENICILLIN G
free penicillin II
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
benzylpenicillin
6-(2-phenylacetamido)penicillanic acid
benzylpenicillinic acid
benzylpenicillinum
PG
PCG
bensylpenicillin
Benzylpenicillin
2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid
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|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group. |
|---|---|
| label |
benzylpenicillin
|
| prefLabel |
benzylpenicillin
|
| database_cross_reference |
CAS:61-33-6
Wikipedia:Benzylpenicillin
Patent:US3024169
LINCS:LSM-3229
PDBeChem:PNN
Gmelin:781913
PMID:27731424
Reaxys:44740
PMID:7602118
KEGG:C05551
PMID:1384868
DrugBank:DB01053
PMID:12850488
PMID:16033609
PMID:11906332
PMID:1709917
PMID:24485692
PMID:25998949
KEGG:D02336
PMID:10930630
PMID:11431418
PMID:2083978
HMDB:HMDB0015186
PMID:12569987
PMID:29017833
PMID:6161899
PMID:7716788
Drug_Central:2082
PMID:24631718
PMID:29355985
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|
| notation |
CHEBI:18208
|
| in_subset | |
| inchi |
InChI=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
|
| has_related_synonym |
bencilpenicilina
benzylpenicilline
Penicillin G
benzyl benicillin
PENICILLIN G
free penicillin II
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
benzylpenicillin
6-(2-phenylacetamido)penicillanic acid
benzylpenicillinic acid
benzylpenicillinum
PG
PCG
bensylpenicillin
See more
See less
|
| id |
CHEBI:18208
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C16H18N2O4S
|
| subClassOf | |
| inchikey |
JGSARLDLIJGVTE-MBNYWOFBSA-N
|
| mass |
334.392
|
| monoisotopicmass |
334.09873
|
| has_alternative_id |
CHEBI:7962
CHEBI:25866
CHEBI:45073
CHEBI:14743
|
| type | |
| smiles |
N12C([C@H]([C@]1(SC([C@@H]2C(O)=O)(C)C)[H])NC(CC3=CC=CC=C3)=O)=O
|
| has role | |
| has_exact_synonym |
Benzylpenicillin
2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid
|
| is conjugate acid of | |
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