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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:3,8-dioxooct-5-enoyl-CoA
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Accession:CHEBI:63256 term browser browse the term
Definition:An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3,8-dioxooct-5-enoic acid.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3,8-dioxooct-5-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
 related_synonym: 3,8-dioxo-5,6-dehydrooctanoyl-CoA;   3-oxo-5,6-dehydrosuberyl-CoA semialdehyde;   Formula=C29H44N7O19P3S;   InChI=1S/C29H44N7O19P3S/c1-29(2,24(42)27(43)32-8-7-19(39)31-9-11-59-20(40)12-17(38)6-4-3-5-10-37)14-52-58(49,50)55-57(47,48)51-13-18-23(54-56(44,45)46)22(41)28(53-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-4,10,15-16,18,22-24,28,41-42H,5-9,11-14H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/t18-,22-,23-,24+,28-/m1/s1;   InChIKey=XYGQIZWAZKPGNV-CECATXLMSA-N;   SMILES=[H]C(=O)CC([H])=C([H])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
 xref: PMID:20660314
 cyclic_relationship: is_conjugate_acid_of CHEBI:63257


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Term Annotations click to browse term
  CHEBI ontology 22194
    role 22179
      chemical role 21424
        donor 20279
          acyl donor 29
            acyl-CoA 29
              3,8-dioxooct-5-enoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      chalcogen 21446
                        oxygen atom 21425
                          oxygen molecular entity 21425
                            hydroxides 20801
                              oxoacid 20115
                                pnictogen oxoacid 13702
                                  phosphorus oxoacid 12740
                                    phosphoric acids 11726
                                      phosphoric acid 11726
                                        phosphoric acid derivative 11527
                                          phosphate 11526
                                            organic phosphate 11526
                                              carbohydrate phosphate 1857
                                                phospho sugar 1702
                                                  aldose phosphate 1700
                                                    aldopentose phosphate 1692
                                                      ribose phosphate 1687
                                                        ribonucleotide 1647
                                                          purine ribonucleotide 1614
                                                            adenyl ribonucleotide 1311
                                                              adenosine phosphate 299
                                                                adenosine 5'-phosphate 298
                                                                  ADP 88
                                                                    coenzyme A 29
                                                                      acyl-CoA 29
                                                                        3,8-dioxooct-5-enoyl-CoA 0
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