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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 19801
    role 19747
      biological role 19746
        biochemical role 19251
          cofactor 15540
            coenzyme 855
              coenzyme A 28
                hexanoyl-CoA 1
                  3-hydroxy-5-oxohexanoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      chalcogen 19394
                        oxygen atom 19355
                          oxygen molecular entity 19355
                            hydroxides 19100
                              oxoacid 18220
                                pnictogen oxoacid 10152
                                  phosphorus oxoacid 9040
                                    phosphoric acids 7796
                                      phosphoric acid 7796
                                        phosphoric acid derivative 7474
                                          phosphate 7474
                                            organic phosphate 7473
                                              carbohydrate phosphate 1529
                                                phospho sugar 1455
                                                  aldose phosphate 1453
                                                    aldopentose phosphate 1447
                                                      ribose phosphate 1441
                                                        ribonucleotide 1402
                                                          purine ribonucleotide 1375
                                                            adenyl ribonucleotide 1244
                                                              adenosine phosphate 250
                                                                adenosine 5'-phosphate 249
                                                                  ADP 83
                                                                    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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