CHEBI:76443 - trans-2-decenedioyl-CoA

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ChEBI Name trans-2-decenedioyl-CoA
ChEBI ID CHEBI:76443
ChEBI ASCII Name trans-2-decenedioyl-CoA
Definition An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of trans-2-decenedioic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C31H50N7O19P3S
Net Charge 0
Average Mass 949.75000
Monoisotopic Mass 949.20950
InChI InChI=1S/C31H50N7O19P3S/c1-31(2,26(44)29(45)34-12-11-20(39)33-13-14-61-22(42)10-8-6-4-3-5-7-9-21(40)41)16-54-60(51,52)57-59(49,50)53-15-19-25(56-58(46,47)48)24(43)30(55-19)38-18-37-23-27(32)35-17-36-28(23)38/h8,10,17-19,24-26,30,43-44H,3-7,9,11-16H2,1-2H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b10-8+/t19-,24-,25-,26+,30-/m1/s1
InChIKey JHQDYQPTIXKJBS-KWJGNTRJSA-N
SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCCCC(O)=O
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 trans-2-decenedioyl-CoA (CHEBI:76443) is a acyl-CoA (CHEBI:17984)
trans-2-decenedioyl-CoA (CHEBI:76443) is conjugate acid of trans-2-decenedioyl-CoA(5−) (CHEBI:76347)
Incoming trans-2-decenedioyl-CoA(5−) (CHEBI:76347) is conjugate base of trans-2-decenedioyl-CoA (CHEBI:76443)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-9-carboxynon-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(E)-2-decenedioyl-CoA ChEBI
(E)-2-decenedioyl-coenzyme A ChEBI
trans-2-decenedioyl-coenzyme A ChEBI
Last Modified
26 November 2013