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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:phenoxymethylpenicillin benzathine
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Accession:CHEBI:31973 term browser browse the term
Definition:A benzathine(2+) salt that has formula C48H56N6O10S2.
Synonyms:exact_synonym: N,N'-dibenzylethane-1,2-diaminium bis{2,2-dimethyl-6beta-(phenoxyacetamido)penam-3alpha-carboxylate}
 related_synonym: DBED-penicillin V;   Formula=(C16H18N2O5S)2.C16H20N2;   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-ANPZCEIESA-N;   SMILES=[H][N+]([H])(CC[N+]([H])([H])Cc1ccccc1)Cc1ccccc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C([O-])=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C([O-])=O;   benzathine penicillin V;   benzathine-penicillin V (1:2);   dibenzylethylenediamine-penicillin V
 xref: CAS:5928-84-7;   KEGG:D02405;   Patent:US2820789


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19840
    chemical entity 19840
      molecular entity 19838
        ion 15944
          anion 14951
            salt 14639
              organic salt 2511
                benzathine(2+) salt 0
                  phenoxymethylpenicillin benzathine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19730
                    p-block element atom 19730
                      carbon group element atom 19635
                        carbon atom 19624
                          organic molecular entity 19624
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18113
                                        carboacyl group 17377
                                          univalent carboacyl group 17377
                                            carbamoyl group 17163
                                              carboxamide 17163
                                                lactam 8035
                                                  beta-lactam 794
                                                    beta-lactam antibiotic 782
                                                      penams 263
                                                        penamcarboxylate 0
                                                          penicillinate anion 0
                                                            phenoxymethylpenicillin(1-) 0
                                                              phenoxymethylpenicillin benzathine 0
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