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ONTOLOGY REPORT - ANNOTATIONS


Term:pestalamide A
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Accession:CHEBI:69404 term browser browse the term
Definition:A pyranone that is (2S)-2-methyl-4-oxo-4-{[(4-oxo-4H-pyran-3-yl)carbonyl]amino}butanoic acid substituted by a benzyl group at position 6. It has been isolated from Aspergillus niger.
Synonyms:exact_synonym: (2S)-4-{[(6-benzyl-4-oxo-4H-pyran-3-yl)carbonyl]amino}-2-methyl-4-oxobutanoic acid
 related_synonym: 4-[(6-benzyl-3-hydroxy-6H-furo[2,3-b]pyrrol-4-yl)oxy]-2-methyl-4-oxobutyric acid;   Formula=C18H17NO6;   InChI=1S/C18H17NO6/c1-11(18(23)24)7-16(21)19-17(22)14-10-25-13(9-15(14)20)8-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,23,24)(H,19,21,22)/t11-/m0/s1;   InChIKey=JBQPQUZBAGHRDN-NSHDSACASA-N;   SMILES=C1=CC=CC(CC2=CC(C(=CO2)C(=O)NC(C[C@@H](C(O)=O)C)=O)=O)=C1;   tensidol B
 alt_id: CHEBI:64472
 xref: PMID:17080684;   PMID:20461106;   PMID:21854017;   Reaxys:19412737


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  CHEBI ontology 19770
    role 19717
      biological role 19716
        biochemical role 19225
          metabolite 19199
            eukaryotic metabolite 18810
              fungal metabolite 17394
                Aspergillus metabolite 3212
                  pestalamide A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            organic group 18465
                              organic divalent group 18458
                                organodiyl group 18458
                                  carbonyl group 18354
                                    carbonyl compound 18354
                                      ketone 15949
                                        cyclic ketone 13449
                                          4-pyranones 421
                                            pestalamide A 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.