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CHEBI:61513 - γ-butyrobetainyl-CoA(3−)

ChEBI IDCHEBI:61513
ChEBI Nameγ-butyrobetainyl-CoA(3−)
Stars
ASCII Namegamma-butyrobetainyl-CoA(3-)
DefinitionA triply charged acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of γ-butyrobetainyl-CoA.
Last Modified8 December 2022
SubmitterEugeni Belda
DownloadsMolfile
FormulaC28H46N8O17P3S
Net Charge-3
Average Mass891.704
Monoisotopic Mass891.19309
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-3/t17-,21-,22-,23+,27-/m1/s1
InChIKeyQAMRRBGWSPTAEJ-SVHODSNWSA-K
ChEBI Ontology
Outgoing Relation(s)
γ-butyrobetainyl-CoA(3−) (CHEBI:61513) is a acyl-CoA oxoanion (CHEBI:58946)
γ-butyrobetainyl-CoA(3−) (CHEBI:61513) is conjugate base of γ-butyrobetainyl-CoA (CHEBI:61517)
Incoming Relation(s)
γ-butyrobetainyl-CoA (CHEBI:61517) is conjugate acid of γ-butyrobetainyl-CoA(3−) (CHEBI:61513)
Synonyms  Source
γ-butyrobetaine-CoASUBMITTER
γ-butyrobetainyl-CoA trianionChEBI
UniProt Name  Source
4-(trimethylamino)butanoyl-CoAUniProt
Manual XrefsDatabases
GAMMA-BUTYROBETAINYL-COAMetaCyc