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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 1:212,570,213...212,579,040
Ensembl chr 1:212,570,195...212,579,057
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 9:53,446,185...53,526,727
Ensembl chr 9:53,446,194...53,526,728
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19883
    role 19833
      chemical role 19351
        donor 18483
          acyl donor 28
            acyl-CoA 28
              methacrylyl-CoA 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      chalcogen 19464
                        oxygen atom 19425
                          oxygen molecular entity 19425
                            hydroxides 19147
                              oxoacid 18286
                                pnictogen oxoacid 10306
                                  phosphorus oxoacid 9226
                                    phosphoric acids 7943
                                      phosphoric acid 7943
                                        phosphoric acid derivative 7624
                                          phosphate 7624
                                            organic phosphate 7623
                                              carbohydrate phosphate 1709
                                                phospho sugar 1633
                                                  aldose phosphate 1631
                                                    aldopentose phosphate 1625
                                                      ribose phosphate 1620
                                                        ribonucleotide 1581
                                                          purine ribonucleotide 1552
                                                            adenyl ribonucleotide 1251
                                                              adenosine phosphate 257
                                                                adenosine 5'-phosphate 256
                                                                  ADP 83
                                                                    coenzyme A 28
                                                                      acyl-CoA 28
                                                                        methacrylyl-CoA 2
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