CHEBI:28188 - 3-methylbut-3-enoyl-CoA

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ChEBI Name 3-methylbut-3-enoyl-CoA ChEBI ID CHEBI:28188 Definition A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-methylbut-3-enoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1589, CHEBI:20120 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H42N7O17P3S Net Charge 0 Average Mass 849.63594 Monoisotopic Mass 849.15708 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/h12-13,15,19-21,25,36-37H,1,5-11H2,2-4H3,(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 JBMJJWIKMZYESJ-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 Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-methylbut-3-enoyl-CoA (CHEBI:28188) has functional parent coenzyme A (CHEBI:15346) 3-methylbut-3-enoyl-CoA (CHEBI:28188) is a methyl-branched fatty acyl-CoA (CHEBI:25271) 3-methylbut-3-enoyl-CoA (CHEBI:28188) is a monounsaturated fatty acyl-CoA (CHEBI:139575) 3-methylbut-3-enoyl-CoA (CHEBI:28188) is a short-chain fatty acyl-CoA (CHEBI:61905) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-3-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 3-Methyl-vinylacetyl-CoA KEGG COMPOUND 3-methyl-vinylacetyl-coenzyme A ChEBI 3-methylbut-3-enoyl-coenzyme A ChEBI Manual Xref Database C03466 KEGG COMPOUND View more database links Citation Type Source 15619721 PubMed citation Europe PMC Last Modified 05 February 2018