CHEBI:36926 - but-2-enoyl-CoA

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ChEBI Name but-2-enoyl-CoA
ChEBI ID CHEBI:36926
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11531, CHEBI:13921
Supplier Information
Download Molfile XML SDF
Formula C25H40N7O17P3S
Net Charge 0
Average Mass 835.60936
Monoisotopic Mass 835.141
InChI InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1
InChIKey KFWWCMJSYSSPSK-CITAKDKDSA-N
SMILES CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
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 but-2-enoyl-CoA (CHEBI:36926) has functional parent 2-butenoic acid (CHEBI:17217)
but-2-enoyl-CoA (CHEBI:36926) has functional parent coenzyme A (CHEBI:15346)
but-2-enoyl-CoA (CHEBI:36926) is a butenoyl-CoA (CHEBI:22961)
but-2-enoyl-CoA (CHEBI:36926) is conjugate acid of but-2-enoyl-CoA(4−) (CHEBI:58669)
Incoming 2-methylcrotonoyl-CoA (CHEBI:15478) has functional parent but-2-enoyl-CoA (CHEBI:36926)
3-methylbut-2-enoyl-CoA (CHEBI:15486) has functional parent but-2-enoyl-CoA (CHEBI:36926)
crotonoyl-CoA (CHEBI:15473) is a but-2-enoyl-CoA (CHEBI:36926)
but-2-enoyl-CoA(4−) (CHEBI:58669) is conjugate base of but-2-enoyl-CoA (CHEBI:36926)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(but-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2-Butenoyl-CoA KEGG COMPOUND
But-2-enoyl-CoA KEGG COMPOUND
Crotonyl-CoA KEGG COMPOUND
S-But-2-enoylcoenzyme A ChemIDplus
trans-But-2-enoyl-CoA KEGG COMPOUND
Database Link Database
C00877 KEGG COMPOUND
View more database links
Registry Number Type Source
992-67-6 CAS Registry Number ChemIDplus
Last Modified
28 July 2014