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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:9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid
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Accession:CHEBI:63741 term browser browse the term
Definition:A dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5, a methyl substituent at position 7a and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer).
Synonyms:exact_synonym: 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl]propanoic acid
 related_synonym: Formula=C13H18O4;   InChI=1S/C13H18O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-9H,2-7H2,1H3,(H,16,17)/t8-,9-,13-/m0/s1;   InChIKey=PCCFNLPWOFTZPJ-RVBZMBCESA-N;   SMILES=[H][C@@]1(CCC(O)=O)C(=O)CC[C@]2(C)C(=O)CC[C@@]12[H]
 xref: KEGG:C20199;   MetaCyc:CPD-13711;   PMID:16151114;   Reaxys:2656920
 cyclic_relationship: is_conjugate_acid_of CHEBI:63692

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            prokaryotic metabolite 0
              bacterial metabolite 0
                9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid 0
                  9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oyl-CoA 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
                                      monocarboxylic acid 0
                                        oxo monocarboxylic acid 0
                                          dioxo monocarboxylic acid 0
                                            9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid 0
                                              9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oyl-CoA 0
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