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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-oxobutanoic acid
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Accession:CHEBI:8944 term browser browse the term
Definition:A sulfonium compound comprising 4-methylthio-2-oxobutanoic acid having an adenosin-5'-yl group attached to the sulfur.
Synonyms:exact_synonym: (3-carboxy-3-oxopropyl)(5'-deoxyadenosin-5'-yl)(methyl)sulfanium
 related_synonym: (3-carboxy-3-oxopropyl)(5'-deoxyadenosin-5'-yl)(methyl)sulfonium;   Formula=C15H20N5O6S;   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)/p+1/t8-,10-,11-,14-,27?/m1/s1;   InChIKey=UOKVQQMBGVMXPU-CJPDYEHRSA-O;   S-Adenosyl-4-methylthio-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;   {[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(3-carboxy-3-oxopropyl)methylsulfonium
 xref: KEGG:C04425
 cyclic_relationship: is_conjugate_acid_of CHEBI:16490


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22205
    chemical entity 22204
      molecular entity 22196
        ion 17704
          organic ion 10112
            organic cation 9140
              S-adenosyl-4-methylthio-2-oxobutanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22205
    subatomic particle 22197
      composite particle 22197
        hadron 22197
          baryon 22197
            nucleon 22169
              atomic nucleus 22197
                atom 22197
                  main group element atom 22131
                    p-block element atom 22131
                      carbon group element atom 21928
                        carbon atom 21854
                          organic molecular entity 21854
                            heteroorganic entity 21512
                              organochalcogen compound 21001
                                organooxygen compound 20845
                                  carbon oxoacid 19638
                                    carboxylic acid 19631
                                      monocarboxylic acid 19001
                                        fatty acid 17244
                                          short-chain fatty acid 16344
                                            fatty acid 4:0 8391
                                              butyric acid 6805
                                                methionine 3625
                                                  L-methionine 3624
                                                    4-methylthio-2-oxobutanoic acid 4
                                                      S-adenosyl-4-methylthio-2-oxobutanoic acid 0
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