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CHEBI:61517 - γ-butyrobetainyl-CoA

ChEBI IDCHEBI:61517
ChEBI Nameγ-butyrobetainyl-CoA
Stars
ASCII Namegamma-butyrobetainyl-CoA
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-trimethylammoniobutanoic acid.
Last Modified15 August 2011
SubmitterSteve
DownloadsMolfile
FormulaC28H50N8O17P3S
Net Charge+1
Average Mass895.736
Monoisotopic Mass895.22220
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+](C)(C)C
InChIInChI=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
InChIKeyQAMRRBGWSPTAEJ-SVHODSNWSA-O
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
γ-butyrobetainyl-CoA(3−) (CHEBI:61513) is conjugate base of γ-butyrobetainyl-CoA (CHEBI:61517)
Synonyms  Source
4-trimethylammoniobutanoyl-coenzyme AChEBI
γ-butyrobetainyl-coenzyme AChEBI
4-trimethylammoniobutanoyl-CoAChEBI
Manual XrefsDatabases
WO0024919Patent
Citations