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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | penicillanic acid | |
| Synonyms |
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid penicillanic acid 2,2-dimethylpenam-3alpha-carboxylic acid |
|
| Definitions |
A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_37806 |
|
| charge |
0
|
|
| database_cross_reference |
Reaxys:4677775 CAS:87-53-6
|
|
| definition |
A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration.
|
|
| formula |
C8H11NO3S
|
|
| has_exact_synonym |
penicillanic acid 2,2-dimethylpenam-3alpha-carboxylic acid
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
|
|
| id |
CHEBI:37806
|
|
| in_subset | ||
| inchi |
InChI=1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
|
|
| inchikey |
RBKMMJSQKNKNEV-RITPCOANSA-N
|
|
| label |
penicillanic acid
|
|
| mass |
201.24388
|
|
| monoisotopicmass |
201.04596
|
|
| notation |
CHEBI:37806
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|
| prefLabel |
penicillanic acid
|
|
| smiles |
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)C(C)(C)S2
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| treeView | ||
| subClassOf |
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