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
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Formula C28H50N8O17P3S
Net Charge +1
Average Mass 895.72600
Monoisotopic Mass 895.223
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
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Citations Waiting for 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