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CHEBI:139083 - (E)-hex-4-enoyl-CoA

ChEBI IDCHEBI:139083
ChEBI Name(E)-hex-4-enoyl-CoA
Stars
ASCII Name(E)-hex-4-enoyl-CoA
DefinitionA fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-hex-4-enoic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC27H44N7O17P3S
Net Charge0
Average Mass863.670
Monoisotopic Mass863.17272
SMILESC/C=C/CCC(=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/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h4-5,14-16,20-22,26,37-38H,6-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b5-4+/t16-,20-,21-,22+,26-/m1/s1
InChIKeyPNNYOOSXZDIZBV-HWYUJMJYSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(E)-hex-4-enoyl-CoA (CHEBI:139083) has functional parent trans-hex-4-enoic acid (CHEBI:38356)
(E)-hex-4-enoyl-CoA (CHEBI:139083) is a medium-chain fatty acyl-CoA (CHEBI:61907)
(E)-hex-4-enoyl-CoA (CHEBI:139083) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(E)-hex-4-enoyl-CoA (CHEBI:139083) is conjugate acid of (E)-hex-4-enoyl-CoA(4−) (CHEBI:138404)
Incoming Relation(s)
(E)-hex-4-enoyl-CoA(4−) (CHEBI:138404) is conjugate base of (E)-hex-4-enoyl-CoA (CHEBI:139083)
IUPAC Name 
5'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(4E)-hex-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(4E)-hexenoyl-CoAChEBI
trans-hex-4-enoyl-CoAChEBI
trans-hex-4-enoyl-coenzyme AChEBI
(E)-hex-4-enoyl-coenzyme AChEBI
(4E)-hexenoyl-coenzyme AChEBI