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CHEBI:76316 - decanedioyl-CoA(5−)

ChEBI IDCHEBI:76316
ChEBI Namedecanedioyl-CoA(5−)
Stars
ASCII Namedecanedioyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion that is the pentaanion of decanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups.
Last Modified11 June 2018
Submitterlaimo
DownloadsMolfile
FormulaC31H47N7O19P3S
Net Charge-5
Average Mass946.736
Monoisotopic Mass946.18877
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)/p-5/t19-,24-,25-,26+,30-/m1/s1
InChIKeyJZXNELIZHJCEFA-PVMJKYSESA-I
ChEBI Ontology
Outgoing Relation(s)
decanedioyl-CoA(5−) (CHEBI:76316) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
decanedioyl-CoA(5−) (CHEBI:76316) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
decanedioyl-CoA(5−) (CHEBI:76316) is conjugate base of decanedioyl-CoA (CHEBI:76345)
Incoming Relation(s)
decanedioyl-CoA (CHEBI:76345) is conjugate acid of decanedioyl-CoA(5−) (CHEBI:76316)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatononanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonym  Source
decanedioyl-coenzyme A(5−)SUBMITTER
UniProt Name  Source
decanedioyl-CoAUniProt