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

ChEBI IDCHEBI:86441
ChEBI Name(2E)-pentenoyl-CoA
Stars
ASCII Name(2E)-pentenoyl-CoA
DefinitionA 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.
Last Modified13 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC26H42N7O17P3S
Net Charge0
Average Mass849.643
Monoisotopic Mass849.15707
SMILESCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeyGJSFKOVNQYGUGN-JQVZGLFNSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(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  Source
(2E)-pent-2-enoyl-coenzyme AChEBI
(2E)-pentenoyl-coenzyme AChEBI
(2E)-pent-2-enoyl-CoAChEBI