loading...| Preferred Name |
benzylpenicillin |
|
| Synonyms |
Benzylpenicillin 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid benzylpenicillin benzylpenicilline PENICILLIN G 6-(2-phenylacetamido)penicillanic acid benzyl benicillin (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid bensylpenicillin benzylpenicillinum benzylpenicillinic acid Penicillin G bencilpenicilina free penicillin II PCG PG |
|
| Definitions |
A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_18208 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:1384868 KEGG:D02336 KEGG:C05551 PMID:6161899 Reaxys:44740 PDBeChem:PNN PMID:12569987 DrugBank:DB01053 PMID:7602118 PMID:11431418 Gmelin:781913 PMID:10930630 PMID:7716788 HMDB:HMDB0015186 PMID:12850488 PMID:1709917 Drug_Central:2082 PMID:2083978 PMID:24485692 PMID:29017833 PMID:29355985 PMID:27731424 LINCS:LSM-3229 PMID:16033609 Beilstein:44740 PMID:25998949 PMID:11906332 Wikipedia:Benzylpenicillin Patent:US3024169 PMID:24631718 CAS:61-33-6 |
|
| formula |
C16H18N2O4S |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_36047 |
|
| has_alternative_id |
CHEBI:25866 CHEBI:14743 CHEBI:45073 CHEBI:7962 |
|
| has_exact_synonym |
Benzylpenicillin 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
benzylpenicillin benzylpenicilline PENICILLIN G 6-(2-phenylacetamido)penicillanic acid benzyl benicillin (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid bensylpenicillin benzylpenicillinum benzylpenicillinic acid Penicillin G bencilpenicilina free penicillin II PCG PG |
|
| id |
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 |
|
| inchikey |
JGSARLDLIJGVTE-MBNYWOFBSA-N |
|
| is_conjugate_acid_of | ||
| label |
benzylpenicillin |
|
| mass |
334.392 |
|
| monoisotopicmass |
334.09873 |
|
| notation |
CHEBI:18208 |
|
| prefLabel |
benzylpenicillin |
|
| smiles |
N12C([C@H]([C@]1(SC([C@@H]2C(O)=O)(C)C)[H])NC(CC3=CC=CC=C3)=O)=O |
|
| textual definition |
A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group. |
|
| subClassOf |