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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:benzylpenicillin
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Accession:CHEBI:18208 term browser browse the term
Definition:A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.
Synonyms:exact_synonym: 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid
 related_synonym: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;   6-(2-phenylacetamido)penicillanic acid;   Formula=C16H18N2O4S;   InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1;   InChIKey=JGSARLDLIJGVTE-MBNYWOFBSA-N;   PCG;   PENICILLIN G;   PG;   SMILES=N12C([C@H]([C@]1(SC([C@@H]2C(O)=O)(C)C)[H])NC(CC3=CC=CC=C3)=O)=O;   bencilpenicilina;   bensylpenicillin;   benzyl benicillin;   benzylpenicilline;   benzylpenicillinic acid;   benzylpenicillinum;   free penicillin II
 alt_id: CHEBI:14743;   CHEBI:25866;   CHEBI:45073;   CHEBI:7962
 xref: Beilstein:44740;   CAS:61-33-6;   DrugBank:DB01053;   Drug_Central:2082;   Gmelin:781913;   HMDB:HMDB0015186;   KEGG:C05551;   KEGG:D02336;   LINCS:LSM-3229
 xref_mesh: MESH:D010400
 xref: PDBeChem:PNN;   PMID:10930630;   PMID:11431418;   PMID:11906332;   PMID:12569987;   PMID:12850488;   PMID:1384868;   PMID:16033609;   PMID:1709917;   PMID:2083978;   PMID:24485692;   PMID:24631718;   PMID:25998949;   PMID:27731424;   PMID:29017833;   PMID:29355985;   PMID:6161899;   PMID:7602118;   PMID:7716788;   Patent:US3024169;   Reaxys:44740;   Wikipedia:Benzylpenicillin
 cyclic_relationship: is_conjugate_acid_of CHEBI:51354


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      biological role 5016
        epitope 34
          benzylpenicillin 0
            DON-15-penicillin G 0
            benzylpenamaldate group 0
            benzylpenamidyl group 0
            benzylpenicanyl group 0
            benzylpenicillanyl group 0
            benzylpenicillenyl group 0
            benzylpenicilloyl group + 0
            benzylpenicilloyl polylysine 0
            benzylpenicilloyl-L-lysine + 0
            benzylpenicilloyl-benzylamine 0
            benzylpenicilloyl-butylamine 0
            benzylpenicilloyl-cysteine 0
            benzylpenicilloyl-octa-L-lysine 0
            benzylpenilloic acid 0
            penamecillin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbon oxoacid 368
                                    carboxylic acid 364
                                      carboacyl group 209
                                        univalent carboacyl group 209
                                          carbamoyl group 206
                                            carboxamide 211
                                              lactam 47
                                                beta-lactam 7
                                                  beta-lactam antibiotic 2
                                                    penams 1
                                                      penicillanic acids 1
                                                        penicillanic acid 1
                                                          6-aminopenicillanic acid 1
                                                            penicillin 1
                                                              penicillin allergen 1
                                                                benzylpenicillin 0
                                                                  DON-15-penicillin G 0
                                                                  benzylpenamaldate group 0
                                                                  benzylpenamidyl group 0
                                                                  benzylpenicanyl group 0
                                                                  benzylpenicillanyl group 0
                                                                  benzylpenicillenyl group 0
                                                                  benzylpenicilloyl group + 0
                                                                  benzylpenicilloyl polylysine 0
                                                                  benzylpenicilloyl-L-lysine + 0
                                                                  benzylpenicilloyl-benzylamine 0
                                                                  benzylpenicilloyl-butylamine 0
                                                                  benzylpenicilloyl-cysteine 0
                                                                  benzylpenicilloyl-octa-L-lysine 0
                                                                  benzylpenilloic acid 0
                                                                  penamecillin 0
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