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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | Cefoxitin sodium | |
| Synonyms |
Cefoxitin sodium |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3501 |
|
| alternative term |
Cefoxitin sodium
|
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D00913 KEGG:C08106 CAS:33564-30-6
|
|
| formula |
C16H16N3O7S2.Na
|
|
| has_exact_synonym |
Cefoxitin sodium
|
|
| has_obo_namespace |
chebi_ontology
|
|
| id |
CHEBI:3501
|
|
| in_subset | ||
| inchi |
InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1
|
|
| inchikey |
GNWUOVJNSFPWDD-XMZRARIVSA-M
|
|
| label |
Cefoxitin sodium
|
|
| mass |
449.437
|
|
| monoisotopicmass |
449.03274
|
|
| notation |
CHEBI:3501
|
|
| prefLabel |
Cefoxitin sodium
|
|
| smiles |
[Na+].CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O
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|
| subClassOf |
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