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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:Cefpimizole sodium
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Accession:CHEBI:31376 term browser browse the term
Definition:An organic molecular entity that has formula C28H25N6O10S2.Na.
Synonyms:related_synonym: Formula=C28H25N6O10S2.Na;   InChI=1S/C28H26N6O10S2.Na/c35-23(18-12-29-22(30-18)28(40)41)31-19(16-4-2-1-3-5-16)24(36)32-20-25(37)34-21(27(38)39)17(14-45-26(20)34)13-33-9-6-15(7-10-33)8-11-46(42,43)44;/h1-7,9-10,12,19-20,26H,8,11,13-14H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44);/q;+1/p-1/t19-,20-,26-;/m1./s1;   InChIKey=AFRHBNZCLNRBKP-USSRSQKSSA-M;   SMILES=[Na+].OC(=O)c1nc(c[nH]1)C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccc(CCS([O-])(=O)=O)cc3)=C(N2C1=O)C([O-])=O)c1ccccc1
 xref: CAS:85287-61-2;   KEGG:C13024;   KEGG:D01568

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              Cefpimizole sodium 0
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                            Cefpimizole sodium 0
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