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ONTOLOGY REPORT - ANNOTATIONS


Term:S-adenosyl-4-methylthio-2-oxobutanoate
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Accession:CHEBI:16490 term browser browse the term
Definition:A sulfonium betaine that is the conjugate base of S-adenosyl-4-methylthio-2-oxobutanoic acid, arising from deprotonation of the carboxy group.
Synonyms:exact_synonym: 4-[(5'-deoxyadenosin-5'-yl)(methyl)sulfaniumyl]-2-oxobutanoate
 related_synonym: 4-[(5'-adenosyl)(methyl)sulfonio]-2-oxobutanoate;   4-[(5'-deoxyadenosin-5'-yl)(methyl)sulfonio]-2-oxobutanoate;   4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]-2-oxobutanoate;   Formula=C15H19N5O6S;   InChI=1S/C15H19N5O6S/c1-27(3-2-7(21)15(24)25)4-8-10(22)11(23)14(26-8)20-6-19-9-12(16)17-5-18-13(9)20/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H2-,16,17,18,24,25)/t8-,10-,11-,14-,27?/m1/s1;   InChIKey=UOKVQQMBGVMXPU-CJPDYEHRSA-N;   S-adenosyl-4-methylsulfanyl-2-oxobutanoate;   SMILES=C[S+](CCC(=O)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12;   [1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-carboxylato-3-oxopropyl](methyl)sulfonium
 alt_id: CHEBI:12758;   CHEBI:22033
 xref: Beilstein:9665212;   MetaCyc:S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE;   Reaxys:9665212
 cyclic_relationship: is_conjugate_base_of CHEBI:8944


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Term Annotations click to browse term
  CHEBI ontology 19789
    role 19735
      biological role 19734
        biochemical role 19227
          metabolite 19202
            butyrate 80
              4-methylthio-2-oxobutanoate 0
                S-adenosyl-4-methylthio-2-oxobutanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19789
    subatomic particle 19787
      composite particle 19787
        hadron 19787
          baryon 19787
            nucleon 19787
              atomic nucleus 19787
                atom 19787
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19569
                        carbon atom 19558
                          organic molecular entity 19558
                            organic ion 8306
                              organic anion 3008
                                carboxylic acid anion 2383
                                  monocarboxylic acid anion 1487
                                    fatty acid anion 99
                                      short-chain fatty acid anion 92
                                        fatty acid anion 4:0 80
                                          butyrate 80
                                            4-methylthio-2-oxobutanoate 0
                                              S-adenosyl-4-methylthio-2-oxobutanoate 0
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