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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:deacetoxycephalosporin C
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Accession:CHEBI:18229 term browser browse the term
Definition:A cephalosporin that has formula C14H19N3O6S.
Synonyms:exact_synonym: (6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
 related_synonym: DAOC;   De(acetyloxy)cephalosporin C;   Desacetoxycephalosphorin C;   Formula=C14H19N3O6S;   InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1;   InChIKey=NNQIJOYQWYKBOW-JWKOBGCHSA-N;   SMILES=[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O
 alt_id: CHEBI:14097;   CHEBI:4334
 xref: CAS:26924-74-3;   DrugBank:DB03938;   KEGG:C06565;   PDBeChem:P1C
 cyclic_relationship: is_conjugate_acid_of CHEBI:58415


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Path 1
Term Annotations click to browse term
  CHEBI ontology 501
    role 501
      application 457
        pharmaceutical 452
          drug 452
            drug allergen 52
              cephalosporin 0
                deacetoxycephalosporin C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbon oxoacid 368
                                    carboxylic acid 368
                                      carboacyl group 307
                                        univalent carboacyl group 307
                                          carbamoyl group 305
                                            carboxamide 305
                                              lactam 4
                                                beta-lactam 0
                                                  beta-lactam antibiotic 0
                                                    cephem 0
                                                      cephalosporin 0
                                                        cephalosporanic acid 0
                                                          cephalosporin C 0
                                                            deacetoxycephalosporin C 0
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