CHEBI:15486 - 3-methylbut-2-enoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-methylbut-2-enoyl-CoA
ChEBI ID CHEBI:15486
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-methylbut-2-enoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:27728, CHEBI:1599, CHEBI:11853, CHEBI:11858, CHEBI:23802, CHEBI:20128, CHEBI:4615
Supplier Information
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Formula C26H42N7O17P3S
Net Charge 0
Average Mass 849.63594
Monoisotopic Mass 849.157
InChI InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1
InChIKey BXIPALATIYNHJN-ZMHDXICWSA-N
SMILES CC(C)=CC(=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:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-methylbut-2-enoyl-CoA (CHEBI:15486) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127)
3-methylbut-2-enoyl-CoA (CHEBI:15486) has functional parent but-2-enoyl-CoA (CHEBI:36926)
3-methylbut-2-enoyl-CoA (CHEBI:15486) has role mouse metabolite (CHEBI:75771)
3-methylbut-2-enoyl-CoA (CHEBI:15486) is a 2-enoyl-CoA (CHEBI:19573)
3-methylbut-2-enoyl-CoA (CHEBI:15486) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
3-methylbut-2-enoyl-CoA (CHEBI:15486) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
3-methylbut-2-enoyl-CoA (CHEBI:15486) is a short-chain fatty acyl-CoA (CHEBI:61905)
3-methylbut-2-enoyl-CoA (CHEBI:15486) is conjugate acid of 3-methylbut-2-enoyl-CoA(4−) (CHEBI:57344)
Incoming 3-methylbut-2-enoyl-CoA(4−) (CHEBI:57344) is conjugate base of 3-methylbut-2-enoyl-CoA (CHEBI:15486)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3,3-dimethacrylyl-CoA ChEBI
3,3-dimethacrylyl-coenzyme A ChEBI
3-Methylbut-2-enoyl-CoA KEGG COMPOUND
3-Methylcrotonoyl-CoA KEGG COMPOUND
3-Methylcrotonyl-CoA KEGG COMPOUND
β,β-dimethacrylyl-CoA ChEBI
β,β-dimethacrylyl-coenzyme A ChEBI
Dimethylacryloyl-CoA KEGG COMPOUND
Dimethylacryloyl-CoA KEGG COMPOUND
DMA-CoA ChEBI
S-(3-Methyl-crotonoyl)-coenzym-A ChEBI
S-(3-methylcrotonoyl)-coenzyme-A ChEBI
Manual Xref Database
C03069 KEGG COMPOUND
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Registry Number Type Source
78242 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15619721 PubMed citation Europe PMC
Last Modified
05 February 2018