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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | propicillin | |
| Synonyms |
propicillinum propicilina propicillin propicilline (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6beta-(2-phenoxybutanamido)-2,2-dimethylpenam-3alpha-carboxylic acid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_52429 |
|
| charge |
0
|
|
| database_cross_reference |
Beilstein:1092883 Patent:GB877120 Drug_Central:2297 CAS:551-27-9
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|
| formula |
C18H22N2O5S
|
|
| has_exact_synonym |
6beta-(2-phenoxybutanamido)-2,2-dimethylpenam-3alpha-carboxylic acid
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
propicillinum propicilina propicillin propicilline (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
|
|
| id |
CHEBI:52429
|
|
| in_subset | ||
| inchi |
InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11?,12-,13+,16-/m1/s1
|
|
| inchikey |
HOCWPKXKMNXINF-XQERAMJGSA-N
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|
| is conjugate acid of | ||
| label |
propicillin
|
|
| mass |
378.44300
|
|
| monoisotopicmass |
378.12494
|
|
| notation |
CHEBI:52429
|
|
| prefLabel |
propicillin
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|
| smiles |
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(CC)Oc1ccccc1)C(O)=O
|
|
| treeView | ||
| subClassOf |
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