CHEBI:86441 - (2E)-pentenoyl-CoA

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ChEBI Name (2E)-pentenoyl-CoA
ChEBI ID CHEBI:86441
ChEBI ASCII Name (2E)-pentenoyl-CoA
Definition A pent-2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E)-pentenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H42N7O17P3S
Net Charge 0
Average Mass 849.63500
Monoisotopic Mass 849.15708
InChI InChI=1S/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b6-5+/t15-,19-,20-,21+,25-/m1/s1
InChIKey GJSFKOVNQYGUGN-JQVZGLFNSA-N
SMILES CC\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 via ChEBI Ontology
ChEBI Ontology
Outgoing (2E)-pentenoyl-CoA (CHEBI:86441) is a pent-2-enoyl-CoA (CHEBI:27962)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-pent-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(2E)-pent-2-enoyl-CoA ChEBI
(2E)-pent-2-enoyl-coenzyme A ChEBI
(2E)-pentenoyl-coenzyme A ChEBI
Last Modified
13 July 2015