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ONTOLOGY REPORT - ANNOTATIONS


Term:pyridinestrone-3-carboxylic acid
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Accession:CHEBI:138285 term browser browse the term
Definition:An aza-steroid that is 17-oxoestra-1,3,5(10)-triene-3-carboxylic acid in which the carbon at position 4 in the A-ring has been replaced by a nitrogen. An abiotic metabolite in the 4,5-seco pathway of aerobic estrogen degradation by the bacterium Sphingomonas sp. strain KC8.
Synonyms:exact_synonym: (4bS,6aS,9aS,9bR)-6a-methyl-7-oxo-5,6,6a,7,8,9,9a,9b,10,11-decahydro-4bH-indeno[5,4-f]quinoline-2-carboxylic acid
 related_synonym: 4-aza-17-oxoestra-1,3,5(10)-triene-3-carboxylic acid;   Formula=C18H21NO3;   InChI=1S/C18H21NO3/c1-18-9-8-10-11(13(18)4-7-16(18)20)2-5-14-12(10)3-6-15(19-14)17(21)22/h3,6,10-11,13H,2,4-5,7-9H2,1H3,(H,21,22)/t10-,11+,13-,18-/m0/s1;   InChIKey=SSCPJWFEGZXWAB-IMEWIIRVSA-N;   SMILES=C1[C@]2([C@]3([C@@](C4=C(N=C(C=C4)C(O)=O)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H];   pyridinestrone acid
 xref: PMID:28552583 "Europe PMC";   PMID:28644954 "Europe PMC"
 cyclic_relationship: is_conjugate_acid_of CHEBI:137549


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  CHEBI ontology 19654
    role 19598
      biological role 19596
        biochemical role 19125
          metabolite 19093
            prokaryotic metabolite 18220
              bacterial metabolite 18220
                pyridinestrone-3-carboxylic acid 0
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  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic group 18331
                              organic divalent group 18321
                                organodiyl group 18321
                                  carbonyl group 18209
                                    carbonyl compound 18209
                                      ketone 15780
                                        oxo steroid 9255
                                          17-oxo steroid 256
                                            pyridinestrone-3-carboxylic acid 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.