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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:3-hydroxy-5-oxohexanoyl-CoA
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Accession:CHEBI:20052 term browser browse the term
Definition:An oxo- and hydroxy fatty acyl-CoA whose S-acyl component is derived from 3-hydroxy-5-oxohexanoic acid.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-5-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
 related_synonym: 3-hydroxy-5-oxohexanoyl-coenzyme A;   Formula=C27H44N7O19P3S;   InChI=1S/C27H44N7O19P3S/c1-14(35)8-15(36)9-18(38)57-7-6-29-17(37)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-16-21(52-54(42,43)44)20(39)26(51-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15-16,20-22,26,36,39-40H,4-11H2,1-3H3,(H,29,37)(H,30,41)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15?,16-,20-,21-,22+,26-/m1/s1;   InChIKey=LTOOEXBCTAXFSU-SNIDVWGTSA-N;   SMILES=CC(=O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12;   adenosine 3'-phosphoric acid 5'-[diphosphoric acid P(2)-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-hydroxy-5-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
 xref: KEGG:C16273;   UM-BBD_compID:c0029


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Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      biological role 20011
        biochemical role 19671
          cofactor 15980
            coenzyme 1002
              coenzyme A 28
                hexanoyl-CoA 1
                  3-hydroxy-5-oxohexanoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      chalcogen 19732
                        oxygen atom 19674
                          oxygen molecular entity 19674
                            hydroxides 19454
                              oxoacid 18744
                                pnictogen oxoacid 11007
                                  phosphorus oxoacid 9818
                                    phosphoric acids 8644
                                      phosphoric acid 8639
                                        phosphoric acid derivative 8348
                                          phosphate 8348
                                            organic phosphate 8342
                                              carbohydrate phosphate 1832
                                                phospho sugar 1680
                                                  aldose phosphate 1678
                                                    aldopentose phosphate 1670
                                                      ribose phosphate 1664
                                                        ribonucleotide 1623
                                                          purine ribonucleotide 1596
                                                            adenyl ribonucleotide 1299
                                                              adenosine phosphate 289
                                                                adenosine 5'-phosphate 288
                                                                  ADP 87
                                                                    coenzyme A 28
                                                                      acyl-CoA 28
                                                                        fatty acyl-CoA 16
                                                                          medium-chain fatty acyl-CoA 3
                                                                            hexanoyl-CoA 1
                                                                              3-hydroxy-5-oxohexanoyl-CoA 0
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