CHEBI:61517 - γ-butyrobetainyl-CoA

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ChEBI Name γ-butyrobetainyl-CoA ChEBI ID CHEBI:61517 ChEBI ASCII Name gamma-butyrobetainyl-CoA Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-trimethylammoniobutanoic acid. Stars This entity has been manually annotated by the ChEBI Team. 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 C28H50N8O17P3S Net Charge +1 Average Mass 895.72600 Monoisotopic Mass 895.22220 InChI InChI=1S/C28H49N8O17P3S/c1-28(2,23(40)26(41)31-9-8-18(37)30-10-12-57-19(38)7-6-11-36(3,4)5)14-50-56(47,48)53-55(45,46)49-13-17-22(52-54(42,43)44)21(39)27(51-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,39-40H,6-14H2,1-5H3,(H7-,29,30,31,32,33,37,41,42,43,44,45,46,47,48)/p+1/t17-,21-,22-,23+,27-/m1/s1 InChIKey QAMRRBGWSPTAEJ-SVHODSNWSA-O SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+](C)(C)C 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 γ-butyrobetainyl-CoA (CHEBI:61517) has functional parent 4-(trimethylammonio)butanoic acid (CHEBI:1941) γ-butyrobetainyl-CoA (CHEBI:61517) has functional parent coenzyme A (CHEBI:15346) γ-butyrobetainyl-CoA (CHEBI:61517) is a acyl-CoA (CHEBI:17984) γ-butyrobetainyl-CoA (CHEBI:61517) is a quaternary ammonium ion (CHEBI:35267) γ-butyrobetainyl-CoA (CHEBI:61517) is conjugate acid of γ-butyrobetainyl-CoA(3−) (CHEBI:61513) Incoming γ-butyrobetainyl-CoA(3−) (CHEBI:61513) is conjugate base of γ-butyrobetainyl-CoA (CHEBI:61517) Synonyms Sources 4-trimethylammoniobutanoyl-CoA ChEBI 4-trimethylammoniobutanoyl-coenzyme A ChEBI γ-butyrobetainyl-coenzyme A ChEBI Manual Xref Database WO0024919 Patent View more database links Citations Types Sources 10978161 PubMed citation Europe PMC 11409545 PubMed citation Europe PMC 11551212 PubMed citation Europe PMC 15731894 PubMed citation Europe PMC Last Modified 15 August 2011