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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | phenoxymethylpenicillin | |
| Synonyms |
penicillin phenoxymethyl fenoximetilpenicilina Penicillin V (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid phenoxymethylpenicillinum 6-phenoxyacetamidopenicillanic acid phenoxymethylpenicilline (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID phenoxymethylpenicillin phenoxymethylenepenicillinic acid phenoxomethylpenicillin Fenospen Oracillin PV V-Cillin 2,2-dimethyl-6beta-[(phenoxyacetyl)amino]penam-3alpha-carboxylic acid 3,3-dimethyl-6beta-[(phenoxyacetyl)amino]penam-2alpha-carboxylic acid (PIN) |
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| Definitions |
A penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_27446 |
|
| alternative term |
penicillin phenoxymethyl fenoximetilpenicilina Penicillin V (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid phenoxymethylpenicillinum 6-phenoxyacetamidopenicillanic acid phenoxymethylpenicilline (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID phenoxymethylpenicillin phenoxymethylenepenicillinic acid phenoxomethylpenicillin Fenospen Oracillin PV V-Cillin 2,2-dimethyl-6beta-[(phenoxyacetyl)amino]penam-3alpha-carboxylic acid 3,3-dimethyl-6beta-[(phenoxyacetyl)amino]penam-2alpha-carboxylic acid (PIN)
|
|
| charge |
0
|
|
| database_cross_reference |
PMID:23732051 PDBeChem:PNV Wikipedia:Phenoxymethylpenicillin CAS:87-08-1 KEGG:C08126 PMID:12569987 PMID:19496253 PMID:10930630 PMID:14687482 DrugBank:DB00417 Drug_Central:2083 Reaxys:96259 PMID:22763423 PMID:13377278 PMID:27731424 Beilstein:96259 PMID:16033609 PMID:21148688 PMID:26986755 KEGG:D05411 PMID:19357666 PMID:8566082
|
|
| definition |
A penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain.
|
|
| formula |
C16H18N2O5S
|
|
| has_alternative_id |
CHEBI:25868 CHEBI:44947 CHEBI:7966
|
|
| has_exact_synonym |
2,2-dimethyl-6beta-[(phenoxyacetyl)amino]penam-3alpha-carboxylic acid 3,3-dimethyl-6beta-[(phenoxyacetyl)amino]penam-2alpha-carboxylic acid (PIN)
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
penicillin phenoxymethyl fenoximetilpenicilina Penicillin V (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid phenoxymethylpenicillinum 6-phenoxyacetamidopenicillanic acid phenoxymethylpenicilline (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID phenoxymethylpenicillin phenoxymethylenepenicillinic acid phenoxomethylpenicillin Fenospen Oracillin PV V-Cillin
|
|
| id |
CHEBI:27446
|
|
| in_subset | ||
| inchi |
InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
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|
| inchikey |
BPLBGHOLXOTWMN-MBNYWOFBSA-N
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|
| is_conjugate_acid_of | ||
| label |
phenoxymethylpenicillin
|
|
| mass |
350.39000
|
|
| monoisotopicmass |
350.09364
|
|
| notation |
CHEBI:27446
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|
| prefLabel |
phenoxymethylpenicillin
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|
| smiles |
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C(O)=O
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|
| subClassOf |
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