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CHEBI:60933 - (E)-4-(trimethylammonio)but-2-enoyl-CoA(3−)

ChEBI IDCHEBI:60933
ChEBI Name(E)-4-(trimethylammonio)but-2-enoyl-CoA(3−)
Stars
ASCII Name(E)-4-(trimethylammonio)but-2-enoyl-CoA(3-)
DefinitionAn acyl-CoA oxoanion obtained via deprotonation of the phosphate and diphosphate OH groups of (E)-4-(trimethylammonio)but-2-enoyl-CoA; major species at pH 7.3.
Last Modified16 August 2011
SubmitterAnne Morgat
DownloadsMolfile
FormulaC28H44N8O17P3S
Net Charge-3
Average Mass889.688
Monoisotopic Mass889.17744
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)/C=C/C[N+](C)(C)C
InChIInChI=1S/C28H47N8O17P3S/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/h6-7,15-17,21-23,27,39-40H,8-14H2,1-5H3,(H7-,29,30,31,32,33,37,41,42,43,44,45,46,47,48)/p-3/b7-6+/t17-,21-,22-,23+,27-/m1/s1
InChIKeyWAUPBDVHJXXZGW-HXPULJKESA-K
ChEBI Ontology
Outgoing Relation(s)
(E)-4-(trimethylammonio)but-2-enoyl-CoA(3−) (CHEBI:60933) is a acyl-CoA oxoanion (CHEBI:58946)
(E)-4-(trimethylammonio)but-2-enoyl-CoA(3−) (CHEBI:60933) is conjugate base of (E)-4-(trimethylammonio)but-2-enoyl-CoA (CHEBI:61123)
Incoming Relation(s)
(E)-4-(trimethylammonio)but-2-enoyl-CoA (CHEBI:61123) is conjugate acid of (E)-4-(trimethylammonio)but-2-enoyl-CoA(3−) (CHEBI:60933)
Synonyms  Source
crotonobetainyl-CoA trianionChEBI
crotonobetainyl-coenzyme A(3−)ChEBI
crotonobetainyl-coenzyme A trianionChEBI
(E)-4-(trimethylammonio)but-2-enoyl-CoA trianionChEBI
crotonobetainyl-CoA(3−)ChEBI
UniProt Name  Source
crotonobetainyl-CoAUniProt
Manual XrefsDatabases
CROTONOBETAINYL-COAMetaCyc