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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:cefamandole nafate
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Accession:CHEBI:3481 term browser browse the term
Definition:A cephalosporin prodrug having (R)-O-formylmandelamido and N-methylthiotetrazole side-groups.
Synonyms:exact_synonym: sodium 7beta-[(2R)-2-(formyloxy)-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate
 related_synonym: Cefamandol nafato;   Cephamandole nafate;   Formula=C19H17N6NaO6S2;   Formula=C19H17N6O6S2.Na;   InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14-,17-;/m1./s1;   InChIKey=ICZOIXFFVKYXOM-YCLOEFEOSA-M;   O-Formylcefamandole sodium;   SMILES=[Na+].[H]C(=O)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C([O-])=O)=C(CSc3nnnn3C)CS[C@]12[H])c1ccccc1;   sodium (6R,7R)-7-{[(2R)-2-(formyloxy)-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
 xref: Beilstein:5403938;   CAS:42540-40-9;   DrugBank:DB01326;   KEGG:C08102;   KEGG:D00909;   PMID:10412;   PMID:17548491;   PMID:41479;   PMID:533268;   PMID:7000857;   PMID:921240;   Patent:CN101822678;   Patent:CN101829118;   Patent:CN101836960



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19810
      application 19679
        pro-agent 11524
          prodrug 11285
            cefamandole nafate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19722
                        carbon atom 19719
                          organic molecular entity 19719
                            organic ion 11435
                              organic anion 6843
                                carboxylic acid anion 2487
                                  monocarboxylic acid anion 1600
                                    O-formylcefamandole(1-) 0
                                      cefamandole nafate 0
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