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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 24382
    chemical entity 24350
      molecular entity 24311
        ion 17227
          anion 16076
            salt 15699
              organic salt 2607
                benzathine(2+) salt 0
                  phenoxymethylpenicillin benzathine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24382
    subatomic particle 24339
      composite particle 24339
        hadron 24339
          baryon 24339
            nucleon 24339
              atomic nucleus 24339
                atom 24339
                  main group element atom 24188
                    p-block element atom 24188
                      carbon group element atom 23967
                        carbon atom 23924
                          organic molecular entity 23924
                            organic group 22198
                              organic divalent group 22172
                                organodiyl group 22172
                                  carbonyl group 22155
                                    carbonyl compound 22155
                                      carboxylic acid 21201
                                        carboacyl group 19355
                                          univalent carboacyl group 19355
                                            carbamoyl group 18751
                                              carboxamide 18751
                                                lactam 8506
                                                  beta-lactam 775
                                                    beta-lactam antibiotic 762
                                                      penams 265
                                                        penamcarboxylate 0
                                                          penicillinate anion 0
                                                            phenoxymethylpenicillin(1-) 0
                                                              phenoxymethylpenicillin benzathine 0
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