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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: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 26034
    role 25961
      biological role 25929
        biochemical role 25162
          metabolite 25092
            butyrate 97
              4-methylthio-2-oxobutanoate 0
                S-adenosyl-4-methylthio-2-oxobutanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            organic ion 10222
                              organic anion 3764
                                carboxylic acid anion 2557
                                  monocarboxylic acid anion 1660
                                    fatty acid anion 126
                                      short-chain fatty acid anion 120
                                        fatty acid anion 4:0 97
                                          butyrate 97
                                            4-methylthio-2-oxobutanoate 0
                                              S-adenosyl-4-methylthio-2-oxobutanoate 0
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