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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:Cefacetrile sodium
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Accession:CHEBI:31364 term browser browse the term
Definition:An organic molecular entity that has formula C13H12N3O6S.Na.
Synonyms:related_synonym: Cephacetrile sodium;   Formula=C13H12N3O6S.Na;   InChI=1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1;   InChIKey=GXCRUTWHNMMJEK-WYUVZMMLSA-M;   SMILES=[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC#N)C2=O)C([O-])=O
 xref: CAS:23239-41-0;   KEGG:C12691;   KEGG:D01262



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      atom 19832
        nonmetal atom 19770
          carbon atom 19727
            organic molecular entity 19727
              Cefacetrile sodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            Cefacetrile sodium 0
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