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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:isobutyryl-CoA(4-)
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Accession:CHEBI:57338 term browser browse the term
Definition:A short chain fatty acyl-CoA(4-) that is the tetraanion of isobutyryl-CoA, arising from deprotonation of phosphate and diphosphate functions.
Synonyms:exact_synonym: 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate}
 related_synonym: 2-methylpropanoyl-CoA;   2-methylpropanoyl-CoA(4-);   2-methylpropionyl-CoA(4-);   Formula=C25H38N7O17P3S;   InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,17-,18-,19+,23-/m1/s1;   InChIKey=AEWHYWSPVRZHCT-NDZSKPAWSA-J;   S-(2-methylpropanoyl)-coenzyme A(4-);   SMILES=CC(C)C(=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;   isobutyryl-CoA tetraanion;   isobutyryl-coenzyme A(4-)
 xref: MetaCyc:ISOBUTYRYL-COA
 cyclic_relationship: is_conjugate_base_of CHEBI:15479


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            eukaryotic metabolite 19303
              animal metabolite 19168
                mammalian metabolite 19193
                  human metabolite 18704
                    isobutyryl-CoA(4-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            hydroxides 19300
                              oxoacid 18725
                                pnictogen oxoacid 13221
                                  phosphorus oxoacid 12413
                                    phosphoric acids 11427
                                      phosphoric acid 11417
                                        phosphoric acid derivative 11226
                                          organophosphate oxoanion 2
                                            acyl-CoA oxoanion 0
                                              acyl-CoA(4-) 0
                                                fatty acyl-CoA(4-) 0
                                                  branched-chain fatty acyl-CoA(4-) 0
                                                    methyl-branched fatty acyl-CoA(4-) 0
                                                      isobutyryl-CoA(4-) 0
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