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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:methacrylyl-CoA
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Accession:CHEBI:27754 term browser browse the term
Definition:An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of methacrylic acid.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
 related_synonym: 2-Methylprop-2-enoyl-CoA;   Formula=C25H40N7O17P3S;   InChI=1S/C25H40N7O17P3S/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/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1;   InChIKey=NPALUEYCDZWBOV-NDZSKPAWSA-N;   Methacrylyl-coenzyme A;   Methylacrylyl-CoA;   S-methacryloyl-CoA;   S-methacryloyl-coenzyme-A;   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
 alt_id: CHEBI:1208;   CHEBI:19706
 xref: CAS:6008-91-9;   DrugBank:DB01675;   KEGG:C03460
 xref_mesh: MESH:C035909
 xref: MetaCyc:METHACRYLYL-COA;   PDBeChem:2MC;   PMID:10989419;   PMID:11580916;   Reaxys:78213
 cyclic_relationship: is_conjugate_acid_of CHEBI:62500


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methacrylyl-CoA term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Echs1 enoyl-CoA hydratase, short chain 1 increases abundance ISO ECHS1 gene mutant form results in increased abundance of methacrylyl-coenzyme A CTD PMID:25125611 NCBI chr 1:194,895,036...194,903,863
Ensembl chr 1:194,895,036...194,903,884 		JBrowse link
G Hibch 3-hydroxyisobutyryl-CoA hydrolase increases abundance ISO HIBCH gene mutant form results in increased abundance of methacrylyl-coenzyme A CTD PMID:25125611 NCBI chr 9:56,082,082...56,161,796
Ensembl chr 9:48,590,099...48,669,824 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20856
    role 20816
      chemical role 20394
        donor 19481
          acyl donor 29
            acyl-CoA 29
              methacrylyl-CoA 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20856
    subatomic particle 20854
      composite particle 20854
        hadron 20854
          baryon 20854
            nucleon 20854
              atomic nucleus 20854
                atom 20854
                  main group element atom 20777
                    p-block element atom 20777
                      chalcogen 20489
                        oxygen atom 20455
                          oxygen molecular entity 20455
                            hydroxides 20228
                              oxoacid 19285
                                pnictogen oxoacid 15114
                                  phosphorus oxoacid 14668
                                    phosphoric acids 13988
                                      phosphoric acid 13988
                                        phosphoric acid derivative 13899
                                          phosphate 13898
                                            organic phosphate 13898
                                              carbohydrate phosphate 1976
                                                phospho sugar 1819
                                                  aldose phosphate 1816
                                                    aldopentose phosphate 1808
                                                      ribose phosphate 1803
                                                        ribonucleotide 1763
                                                          purine ribonucleotide 1720
                                                            adenyl ribonucleotide 1310
                                                              adenosine phosphate 297
                                                                adenosine 5'-phosphate 296
                                                                  ADP 90
                                                                    3'-phosphate-adenosine-5'-diphosphate 29
                                                                      coenzyme A 29
                                                                        acyl-CoA 29
                                                                          methacrylyl-CoA 2
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