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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:(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid
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Accession:CHEBI:15838 term browser browse the term
Definition:A cephalosporin having an acetoxy group at the 3-position and a 5-carboxy-5-oxopentanamido group at the 7-position.
Synonyms:exact_synonym: (6R,7R)-3-(acetoxymethyl)-7-[(5-carboxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
 related_synonym: (7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate;   (7R)-7-(5-carboxy-5-oxopentanoyl)aminocephalosporinic acid;   7-(5-Carboxyl-5-oxopentanyl)-aminocephalosporinate;   Formula=C16H18N2O9S;   InChI=1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)/t11-,14-/m1/s1;   InChIKey=UKRMDFPJXIVYCZ-BXUZGUMPSA-N;   SMILES=[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCCC(=O)C(O)=O)C(O)=O
 alt_id: CHEBI:12248;   CHEBI:20773;   CHEBI:2254
 xref: Beilstein:5395497;   KEGG:C04712
 cyclic_relationship: is_conjugate_acid_of CHEBI:57536

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  CHEBI ontology 2
    role 2
      application 2
        pharmaceutical 2
          drug 2
            drug allergen 1
              cephalosporin 0
                (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid 0
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  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              lactam 0
                                                beta-lactam 0
                                                  beta-lactam antibiotic 0
                                                    cephem 0
                                                      cephalosporin 0
                                                        (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid 0
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