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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:N,N'-bis(phenylmethyl)ethane-1,2-diamine (5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Accession:CHEBI:95334 term browser browse the term
Definition:A penicillin that has formula C48H56N6O10S2.
Synonyms:related_synonym: Formula=C48H56N6O10S2;   InChI=1S/2C16H18N2O5S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12?,14-;/m11./s1;   InChIKey=BBTOYUUSUQNIIY-ZTWPQOGYSA-N;   SMILES=CC1(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.CC1(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
 xref: LINCS:LSM-6700


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  CHEBI ontology 19899
    role 19870
      biological role 19868
        aetiopathogenetic role 19240
          allergen 17696
            penicillin 319
              N,N'-bis(phenylmethyl)ethane-1,2-diamine (5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19536
                              organochalcogen compound 19296
                                organooxygen compound 19214
                                  carbon oxoacid 18693
                                    carboxylic acid 18690
                                      carboacyl group 17731
                                        univalent carboacyl group 17731
                                          carbamoyl group 17576
                                            carboxamide 17576
                                              lactam 8399
                                                beta-lactam 835
                                                  beta-lactam antibiotic 820
                                                    penams 319
                                                      penicillanic acids 319
                                                        penicillanic acid 319
                                                          6-aminopenicillanic acid 319
                                                            penicillin 319
                                                              N,N'-bis(phenylmethyl)ethane-1,2-diamine (5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 0
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