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CHEBI:76445 - 3-oxodecanedioyl-CoA

ChEBI IDCHEBI:76445
ChEBI Name3-oxodecanedioyl-CoA
Stars
DefinitionAn acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 3-oxodecanedioic acid.
Last Modified26 November 2013
SubmitterSteve
DownloadsMolfile
FormulaC31H50N7O20P3S
Net Charge0
Average Mass965.759
Monoisotopic Mass965.20442
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)CC(=O)CCCCCCC(=O)O
InChIInChI=1S/C31H50N7O20P3S/c1-31(2,26(45)29(46)34-10-9-20(40)33-11-12-62-22(43)13-18(39)7-5-3-4-6-8-21(41)42)15-55-61(52,53)58-60(50,51)54-14-19-25(57-59(47,48)49)24(44)30(56-19)38-17-37-23-27(32)35-16-36-28(23)38/h16-17,19,24-26,30,44-45H,3-15H2,1-2H3,(H,33,40)(H,34,46)(H,41,42)(H,50,51)(H,52,53)(H2,32,35,36)(H2,47,48,49)/t19-,24-,25-,26+,30-/m1/s1
InChIKeyKWGOAMVVCDRMMC-PVMJKYSESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-oxodecanedioyl-CoA (CHEBI:76445) is a acyl-CoA (CHEBI:17984)
3-oxodecanedioyl-CoA (CHEBI:76445) is conjugate acid of 3-oxodecanedioyl-CoA(5−) (CHEBI:76349)
Incoming Relation(s)
3-oxodecanedioyl-CoA(5−) (CHEBI:76349) is conjugate base of 3-oxodecanedioyl-CoA (CHEBI:76445)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[9-carboxy-3-oxononanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
3-ketodecanedioyl-CoAChEBI
3-ketodecanedioyl-coenzyme AChEBI
3-oxodecanedioyl-coenzyme AChEBI