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CHEBI:76345 - decanedioyl-CoA

ChEBI IDCHEBI:76345
ChEBI Namedecanedioyl-CoA
Stars
DefinitionAn 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.
Last Modified20 November 2013
SubmitterSteve
DownloadsMolfile
FormulaC31H52N7O19P3S
Net Charge0
Average Mass951.776
Monoisotopic Mass951.22515
SMILESCC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC(=O)O
InChIInChI=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
InChIKeyJZXNELIZHJCEFA-PVMJKYSESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
9-carboxynonanoyl-coenzyme AChEBI
9-carboxynonanoyl-CoAChEBI
decanedioyl-coenzyme AChEBI
sebacoyl-coenzyme AChEBI
sebacoyl-CoAChEBI
Registry NumbersSources
Reaxys:8535273Reaxys