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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:amoxicilloyl-butylamine
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Accession:CHEBI:55470 term browser browse the term
Definition:A monocarboxylic acid amide formed by nucleophilic ring cleavage of the beta-lactam ring of amoxicillin by butylamine.
Synonyms:exact_synonym: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-(butylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
 related_synonym: AX-BA;   AXO-BA;   Formula=C20H30N4O5S;   InChI=1S/C20H30N4O5S/c1-4-5-10-22-17(27)14(18-24-15(19(28)29)20(2,3)30-18)23-16(26)13(21)11-6-8-12(25)9-7-11/h6-9,13-15,18,24-25H,4-5,10,21H2,1-3H3,(H,22,27)(H,23,26)(H,28,29)/t13-,14-,15+,18-/m1/s1;   InChIKey=SHISHHBVUCCUJC-ZXFNITATSA-N;   SMILES=[H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C(=O)NCCCC
 xref: PMID:27731424;   PMID:7716788;   PMID:8828545
 cyclic_relationship: is_conjugate_acid_of CHEBI:133945

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        aetiopathogenetic role 0
          allergen 0
            penicillin 0
              amoxicillin 0
                amoxicilloyl-butylamine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                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
                                                                amoxicillin 0
                                                                  amoxicilloyl-butylamine 0
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