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

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ChEBI Name 6-hydroxyhex-3-enoyl-CoA
ChEBI ID CHEBI:49281
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44N7O18P3S
Net Charge 0
Average Mass 879.66192
Monoisotopic Mass 879.16764
InChI InChI=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
InChIKey HZHMFZAKYSAIGU-HDRQGHTBSA-N
SMILES [H]C(CCO)=CCC(=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 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 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 Sources
6-hydroxy-3-hexenoyl-CoA ChEBI
6-hydroxy-3-hexenoyl-coenzyme A ChEBI
6-hydroxyhex-3-enoyl-coenzyme A ChEBI
Last Modified
05 February 2018