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CHEBI:49281 - 6-hydroxyhex-3-enoyl-CoA

ChEBI IDCHEBI:49281
ChEBI Name6-hydroxyhex-3-enoyl-CoA
Stars
DefinitionA hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 6-hydroxyhex-3-enoic acid.
Last Modified5 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44N7O18P3S
Net Charge0
Average Mass879.669
Monoisotopic Mass879.16764
SMILES[H]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)CCO
InChIInChI=1S/C27H44N7O18P3S/c1-27(2,22(39)25(40)30-8-7-17(36)29-9-11-56-18(37)6-4-3-5-10-35)13-49-55(46,47)52-54(44,45)48-12-16-21(51-53(41,42)43)20(38)26(50-16)34-15-33-19-23(28)31-14-32-24(19)34/h3-4,14-16,20-22,26,35,38-39H,5-13H2,1-2H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t16-,20-,21-,22+,26-/m1/s1
InChIKeyHZHMFZAKYSAIGU-HDRQGHTBSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
6-hydroxyhex-3-enoyl-CoA (CHEBI:49281) has functional parent 6-hydroxyhex-3-enoic acid (CHEBI:49293)
6-hydroxyhex-3-enoyl-CoA (CHEBI:49281) has functional parent coenzyme A (CHEBI:15346)
6-hydroxyhex-3-enoyl-CoA (CHEBI:49281) is a homoallylic alcohol (CHEBI:134362)
6-hydroxyhex-3-enoyl-CoA (CHEBI:49281) is a hydroxy fatty acyl-CoA (CHEBI:61902)
6-hydroxyhex-3-enoyl-CoA (CHEBI:49281) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
Incoming Relation(s)
cis-6-hydroxyhex-3-enoyl-CoA (CHEBI:49294) is a 6-hydroxyhex-3-enoyl-CoA (CHEBI:49281)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyhex-3-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
6-hydroxy-3-hexenoyl-CoAChEBI
6-hydroxyhex-3-enoyl-coenzyme AChEBI
6-hydroxy-3-hexenoyl-coenzyme AChEBI