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
Accession: CHEBI:27754
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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
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
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 9:48,590,097...48,669,896
Ensembl chr 9:48,590,099...48,669,824
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