CHEBI:61123 - (E)-4-(trimethylammonio)but-2-enoyl-CoA

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ChEBI Name (E)-4-(trimethylammonio)but-2-enoyl-CoA
ChEBI ID CHEBI:61123
ChEBI ASCII Name (E)-4-(trimethylammonio)but-2-enoyl-CoA
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-4-(trimethylammonio)but-2-enoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H48N8O17P3S
Net Charge +1
Average Mass 893.71000
Monoisotopic Mass 893.207
InChI InChI=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+1/b7-6+/t17-,21-,22-,23+,27-/m1/s1
InChIKey WAUPBDVHJXXZGW-HXPULJKESA-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)\C=C\C[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 (E)-4-(trimethylammonio)but-2-enoyl-CoA (CHEBI:61123) has functional parent (E)-4-(trimethylammonio)but-2-enoic acid (CHEBI:1774)
(E)-4-(trimethylammonio)but-2-enoyl-CoA (CHEBI:61123) has functional parent coenzyme A (CHEBI:15346)
(E)-4-(trimethylammonio)but-2-enoyl-CoA (CHEBI:61123) is a acyl-CoA (CHEBI:17984)
(E)-4-(trimethylammonio)but-2-enoyl-CoA (CHEBI:61123) is conjugate acid of (E)-4-(trimethylammonio)but-2-enoyl-CoA(3−) (CHEBI:60933)
Incoming (E)-4-(trimethylammonio)but-2-enoyl-CoA(3−) (CHEBI:60933) is conjugate base of (E)-4-(trimethylammonio)but-2-enoyl-CoA (CHEBI:61123)
Synonyms Sources
(E)-4-(trimethylammonio)but-2-enoyl-coenzyme A ChEBI
crotonobetainyl-CoA ChEBI
crotonobetainyl-coenzyme A ChEBI
Manual Xref Database
DE10032076 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
Last Modified
15 August 2011