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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:methicillin
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Accession:CHEBI:6827 term browser browse the term
Definition:A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 2,6-dimethoxybenzoyl group.
Synonyms:exact_synonym: 6beta-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3alpha-carboxylic acid
 related_synonym: (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;   6beta-(2,6-dimethoxybenzamido)penicillanic acid;   Formula=C17H20N2O6S;   InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1;   InChIKey=RJQXTJLFIWVMTO-TYNCELHUSA-N;   SMILES=[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC)C(O)=O;   meticilina;   meticillin;   meticilline;   meticillinum
 xref: Beilstein:966227;   CAS:61-32-5;   DrugBank:DB01603;   Drug_Central:1744;   KEGG:C07177;   PMID:11969119;   PMID:12569987;   PMID:24405901;   PMID:24433925;   PMID:26962156;   Reaxys:966227;   Wikipedia:Meticillin
 cyclic_relationship: is_conjugate_acid_of CHEBI:52064

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Term Annotations click to browse term
  CHEBI ontology 2
    role 2
      biological role 2
        aetiopathogenetic role 2
          allergen 2
            penicillin 0
              methicillin 0
                dimethoxyphenylpenicilloyl group 0
Path 2
Term Annotations click to browse term
  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
                                                    penams 0
                                                      penicillanic acids 0
                                                        penicillanic acid 0
                                                          6-aminopenicillanic acid 0
                                                            penicillin 0
                                                              penicillin allergen 0
                                                                methicillin 0
                                                                  dimethoxyphenylpenicilloyl group 0
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