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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
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      biological role 19751
        biochemical role 19368
          metabolite 19344
            acetoacetic acid 4
              acetoacetyl-CoA 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      chalcogen 19450
                        oxygen atom 19423
                          oxygen molecular entity 19423
                            hydroxides 19158
                              oxoacid 18472
                                pnictogen oxoacid 10733
                                  phosphorus oxoacid 9728
                                    phosphoric acids 8536
                                      phosphoric acid 8536
                                        phosphoric acid derivative 8242
                                          phosphate 8242
                                            organic phosphate 8241
                                              carbohydrate phosphate 1738
                                                phospho sugar 1663
                                                  aldose phosphate 1661
                                                    aldopentose phosphate 1653
                                                      ribose phosphate 1648
                                                        ribonucleotide 1611
                                                          purine ribonucleotide 1584
                                                            adenyl ribonucleotide 1288
                                                              adenosine phosphate 279
                                                                adenosine 5'-phosphate 278
                                                                  ADP 87
                                                                    coenzyme A 28
                                                                      acyl-CoA 28
                                                                        fatty acyl-CoA 16
                                                                          short-chain fatty acyl-CoA 2
                                                                            butanoyl-CoAs 2
                                                                              butyryl-CoA 2
                                                                                acetoacetyl-CoA 1
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