CHEBI:27754 - methacrylyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methacrylyl-CoA
ChEBI ID CHEBI:27754
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of methacrylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1208, CHEBI:19706
Supplier Information
Save molfile Download Molfile
Formula C25H40N7O17P3S
Net Charge 0
Average Mass 835.60936
InChI 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
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
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methacrylyl-CoA (CHEBI:27754) has functional parent coenzyme A (CHEBI:15346)
methacrylyl-CoA (CHEBI:27754) has functional parent methacrylic acid (CHEBI:25219)
methacrylyl-CoA (CHEBI:27754) has role human metabolite (CHEBI:77746)
methacrylyl-CoA (CHEBI:27754) has role mouse metabolite (CHEBI:75771)
methacrylyl-CoA (CHEBI:27754) is a acyl-CoA (CHEBI:17984)
methacrylyl-CoA (CHEBI:27754) is conjugate acid of methacrylyl-CoA(4−) (CHEBI:62500)
Incoming methacrylyl-CoA(4−) (CHEBI:62500) is conjugate base of methacrylyl-CoA (CHEBI:27754)
IUPAC Name
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}
Synonyms Sources
2-Methylprop-2-enoyl-CoA KEGG COMPOUND
Methacrylyl-CoA KEGG COMPOUND
Methacrylyl-coenzyme A ChemIDplus
Methylacrylyl-CoA KEGG COMPOUND
S-methacryloyl-CoA ChEBI
S-methacryloyl-coenzyme-A ChEBI
Database Links Databases
2MC PDBeChem
C03460 KEGG COMPOUND
DB01675 DrugBank
METHACRYLYL-COA MetaCyc
View more database links
Registry Numbers Types Sources
6008-91-9 CAS Registry Number ChemIDplus
78213 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10989419 PubMed citation CiteXplore
11580916 PubMed citation CiteXplore
Last Modified
27 January 2016