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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:butyryl-CoA
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Accession:CHEBI:15517 term browser browse the term
Definition:A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of butyric acid.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
 related_synonym: 4:0-CoA;   Butyryl-coenzyme A;   C4:0-CoA;   Coenzyme A, S-butanoate;   Formula=C25H42N7O17P3S;   InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1;   InChIKey=CRFNGMNYKDXRTN-CITAKDKDSA-N;   S-Butyryl-coenzym-A;   S-butanoyl-CoA;   S-butanoyl-coenzyme A;   S-butyryl-CoA;   S-butyryl-coenzyme A;   SMILES=CCCC(=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;   butanoyl-CoA;   butanoyl-coenzyme A
 alt_id: CHEBI:13926;   CHEBI:22953;   CHEBI:22973;   CHEBI:3235
 xref: CAS:2140-48-9;   HMDB:HMDB0001088;   KEGG:C00136
 xref_mesh: MESH:C024343
 xref: PDBeChem:BCO;   PMID:10517585;   PMID:1269146;   PMID:14570270;   PMID:15222752;   PMID:3117785;   PMID:6386797;   PMID:8099072;   Reaxys:78263;   UM-BBD_compID:c0023
 cyclic_relationship: is_conjugate_acid_of CHEBI:57371

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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          cofactor 0
            coenzyme 0
              coenzyme A 0
                butyryl-CoA 0
                  (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA 0
                  (3S)-3-carboxy-3-hydroxypropanoyl-CoA 0
                  2-methylacetoacetyl-CoA 0
                  3-aminobutyryl-CoA + 0
                  3-hydroxybutanoyl-CoA + 0
                  3-hydroxyisovaleryl-CoA 0
                  4-acetamidobutanoyl-CoA 0
                  4-aminobutanoyl-CoA 0
                  acetoacetyl-CoA 0
                  isovaleryl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                pnictogen oxoacid 0
                                  phosphorus oxoacid 0
                                    phosphoric acids 0
                                      phosphoric acid 0
                                        phosphoric acid derivative 0
                                          phosphate 0
                                            organic phosphate 0
                                              carbohydrate phosphate 0
                                                phospho sugar 0
                                                  aldose phosphate 0
                                                    aldopentose phosphate 0
                                                      ribose phosphate 0
                                                        ribonucleotide 0
                                                          purine ribonucleotide 0
                                                            adenyl ribonucleotide 0
                                                              adenosine phosphate 0
                                                                adenosine 5'-phosphate 0
                                                                  ADP 0
                                                                    coenzyme A 0
                                                                      acyl-CoA 0
                                                                        fatty acyl-CoA 0
                                                                          short-chain fatty acyl-CoA 0
                                                                            butanoyl-CoAs 0
                                                                              butyryl-CoA 0
                                                                                (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA 0
                                                                                (3S)-3-carboxy-3-hydroxypropanoyl-CoA 0
                                                                                2-methylacetoacetyl-CoA 0
                                                                                3-aminobutyryl-CoA + 0
                                                                                3-hydroxybutanoyl-CoA + 0
                                                                                3-hydroxyisovaleryl-CoA 0
                                                                                4-acetamidobutanoyl-CoA 0
                                                                                4-aminobutanoyl-CoA 0
                                                                                acetoacetyl-CoA 0
                                                                                isovaleryl-CoA 0
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