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crotonoyl-CoA (CHEBI:15473)

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ChEBI Name crotonoyl-CoA
ChEBI ID CHEBI:15473
Definition The (E)-isomer of but-2-enoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41612, CHEBI:14031, CHEBI:14032, CHEBI:23408, CHEBI:3928
Supplier Information
See structure as:  Image  Applet
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Formula Source
C25H40N7O17P3S KEGG COMPOUND
Net Charge 0
Average Mass 835.60936
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)/b5-4+/t14-,18-,19-,20+,24-/m1/s1
InChIKey
KFWWCMJSYSSPSK-PAXLJYGASA-N
SMILES
C\C=C\C(=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 on the ChEBI Ontology
ChEBI Ontology
Outgoing crotonoyl-CoA (CHEBI:15473) has functional parent crotonic acid (CHEBI:41131)
crotonoyl-CoA (CHEBI:15473) is a but-2-enoyl-CoA (CHEBI:36926)
crotonoyl-CoA (CHEBI:15473) is conjugate acid of crotonoyl-CoA(4−) (CHEBI:57332)
Incoming crotonoyl-CoA(4−) (CHEBI:57332) is conjugate base of crotonoyl-CoA (CHEBI:15473)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-but-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(E)-but-2-enoyl-CoA ChEBI
Crotonoyl-CoA KEGG COMPOUND
Crotonyl-CoA KEGG COMPOUND
trans-But-2-enoyl-CoA KEGG COMPOUND
trans-butyr-2-enoyl-CoA UM-BBD
Database Links Databases
c0032 UM-BBD
C00877 KEGG COMPOUND
COO PDBeChem
View more database links
Last Modified
07 January 2011

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