CHEBI:76345 - decanedioyl-CoA

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ChEBI Name decanedioyl-CoA
ChEBI ID CHEBI:76345
Definition An α,ω dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of decanedioic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H52N7O19P3S
Net Charge 0
Average Mass 951.76600
Monoisotopic Mass 951.22515
InChI InChI=1S/C31H52N7O19P3S/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/h17-19,24-26,30,43-44H,3-16H2,1-2H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t19-,24-,25-,26+,30-/m1/s1
InChIKey JZXNELIZHJCEFA-PVMJKYSESA-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)CCCCCCCCC(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 decanedioyl-CoA (CHEBI:76345) has functional parent sebacic acid (CHEBI:41865)
decanedioyl-CoA (CHEBI:76345) is a ω-carboxyacyl-CoA (CHEBI:37555)
decanedioyl-CoA (CHEBI:76345) is conjugate acid of decanedioyl-CoA(5−) (CHEBI:76316)
Incoming decanedioyl-CoA(5−) (CHEBI:76316) is conjugate base of decanedioyl-CoA (CHEBI:76345)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxynonanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
9-carboxynonanoyl-CoA ChEBI
9-carboxynonanoyl-coenzyme A ChEBI
decanedioyl-coenzyme A ChEBI
sebacoyl-CoA ChEBI
sebacoyl-coenzyme A ChEBI
Registry Number Type Source
8535273 Reaxys Registry Number Reaxys
Last Modified
20 November 2013