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ONTOLOGY REPORT - ANNOTATIONS


Term:pestalamide B
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Accession:CHEBI:69407 term browser browse the term
Definition:A member of the class of 4-pyridones that is aspernigrin A (2-benzyl-4-pyridone-5-carboxamide) in which the nitrogen of the carboxamide has been acylated by a (3S)-3-carboxybutanoyl group. It has been isolated from Aspergillus niger and several other Aspergillus species.
Synonyms:exact_synonym: (2S)-4-{[(6-benzyl-4-oxo-1,4-dihydropyridin-3-yl)carbonyl]amino}-2-methyl-4-oxobutanoic acid
 related_synonym: Formula=C18H18N2O5;   InChI=1S/C18H18N2O5/c1-11(18(24)25)7-16(22)20-17(23)14-10-19-13(9-15(14)21)8-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,19,21)(H,24,25)(H,20,22,23)/t11-/m0/s1;   InChIKey=AKUZFSWMFGYDBI-NSHDSACASA-N;   SMILES=C(C1=CC(C(=CN1)C(=O)NC(C[C@@H](C(O)=O)C)=O)=O)C=2C=CC=CC2
 xref: PMID:21854017;   Reaxys:19412738


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19758
    role 19705
      biological role 19704
        biochemical role 19206
          metabolite 19180
            alkaloid 5291
              aspernigrin A 0
                pestalamide B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19758
    subatomic particle 19756
      composite particle 19756
        hadron 19756
          baryon 19756
            nucleon 19756
              atomic nucleus 19756
                atom 19756
                  main group element atom 19641
                    p-block element atom 19641
                      carbon group element atom 19532
                        carbon atom 19521
                          organic molecular entity 19521
                            organic group 18428
                              organic divalent group 18419
                                organodiyl group 18419
                                  carbonyl group 18309
                                    carbonyl compound 18309
                                      carboxylic acid 17978
                                        carboacyl group 17095
                                          univalent carboacyl group 17095
                                            carbamoyl group 16818
                                              carboxamide 16818
                                                monocarboxylic acid amide 14185
                                                  aspernigrin A 0
                                                    pestalamide B 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.