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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 chr19:62,662,320...62,733,944
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 19909
    role 19880
      biological role 19878
        biochemical role 19586
          metabolite 19573
            acetoacetic acid 4
              acetoacetyl-CoA 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19909
    subatomic particle 19907
      composite particle 19907
        hadron 19907
          baryon 19907
            nucleon 19907
              atomic nucleus 19907
                atom 19907
                  main group element atom 19846
                    p-block element atom 19846
                      chalcogen 19601
                        oxygen atom 19572
                          oxygen molecular entity 19572
                            hydroxides 19384
                              oxoacid 18821
                                pnictogen oxoacid 15027
                                  phosphorus oxoacid 14586
                                    phosphoric acids 13933
                                      phosphoric acid 13933
                                        phosphoric acid derivative 13845
                                          phosphate 13844
                                            organic phosphate 13844
                                              carbohydrate phosphate 1971
                                                phospho sugar 1816
                                                  aldose phosphate 1813
                                                    aldopentose phosphate 1805
                                                      ribose phosphate 1800
                                                        ribonucleotide 1760
                                                          purine ribonucleotide 1717
                                                            adenyl ribonucleotide 1309
                                                              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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