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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:acetoacetyl-CoA
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Accession:CHEBI:15345 term browser browse the term
Definition:A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of acetoacetic acid.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxobutanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
 related_synonym: 3-Acetoacetyl-CoA;   Acetoacetyl coenzyme A;   Formula=C25H40N7O18P3S;   InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1;   InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-N;   S-Acetoacetyl-coenzym A;   S-acetoacetyl-CoA;   S-acetoacetyl-coenzyme A;   SMILES=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)N1C=NC2=C1N=CN=C2N
 alt_id: CHEBI:11756;   CHEBI:13706;   CHEBI:22173;   CHEBI:2392;   CHEBI:41333
 xref: CAS:1420-36-6;   DrugBank:DB03059;   FooDB:FDB022648;   HMDB:HMDB0001484;   KEGG:C00332;   KNApSAcK:C00007269;   LIPID_MAPS_instance:LMFA07050030
 xref_mesh: MESH:C010667
 xref: PDBeChem:CAA;   PMID:10806397;   PMID:11137815;   PMID:11451959;   PMID:12501183;   PMID:1682408;   PMID:16887802;   PMID:239468;   PMID:24211201;   PMID:26527136;   PMID:27093562;   PMID:27124816;   PMID:28062645;   PMID:29226071;   PMID:32218776;   PMID:6118268;   PMID:6150478;   PMID:7857927;   Reaxys:78273;   UM-BBD_compID:c0229;   Wikipedia:Acetoacetyl-CoA
 cyclic_relationship: is_conjugate_acid_of CHEBI:57286


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acetoacetyl-CoA term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Hsd17b2 hydroxysteroid (17-beta) dehydrogenase 2 affects binding ISO acetoacetyl CoA binds to HSD17B2 protein CTD PMID:25526675 NCBI chr19:45,753,576...45,825,203
Ensembl chr19:45,753,574...45,825,202 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19917
    role 19887
      biological role 19885
        biochemical role 19569
          metabolite 19577
            acetoacetic acid 4
              acetoacetyl-CoA 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19917
    subatomic particle 19915
      composite particle 19915
        hadron 19915
          baryon 19915
            nucleon 19915
              atomic nucleus 19915
                atom 19915
                  main group element atom 19855
                    p-block element atom 19855
                      chalcogen 19583
                        oxygen atom 19576
                          oxygen molecular entity 19576
                            hydroxides 19380
                              oxoacid 18792
                                pnictogen oxoacid 14981
                                  phosphorus oxoacid 14583
                                    phosphoric acids 13930
                                      phosphoric acid 13930
                                        phosphoric acid derivative 13839
                                          phosphate 13838
                                            organic phosphate 13838
                                              carbohydrate phosphate 1964
                                                phospho sugar 1809
                                                  aldose phosphate 1806
                                                    aldopentose phosphate 1798
                                                      ribose phosphate 1793
                                                        ribonucleotide 1753
                                                          purine ribonucleotide 1711
                                                            adenyl ribonucleotide 1306
                                                              adenosine phosphate 297
                                                                adenosine 5'-phosphate 296
                                                                  ADP 90
                                                                    3'-phosphate-adenosine-5'-diphosphate 29
                                                                      coenzyme A 29
                                                                        acyl-CoA 29
                                                                          fatty acyl-CoA 16
                                                                            short-chain fatty acyl-CoA 2
                                                                              butanoyl-CoAs 2
                                                                                butyryl-CoA 2
                                                                                  acetoacetyl-CoA 1
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