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CHEBI:76317 - octanedioyl-CoA(5−)

ChEBI IDCHEBI:76317
ChEBI Nameoctanedioyl-CoA(5−)
Stars
ASCII Nameoctanedioyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion that is the pentaanion of octanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups.
Last Modified2 February 2017
Submitterlaimo
DownloadsMolfile
FormulaC29H43N7O19P3S
Net Charge-5
Average Mass918.682
Monoisotopic Mass918.15747
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)CCCCCCC(=O)[O-]
InChIInChI=1S/C29H48N7O19P3S/c1-29(2,24(42)27(43)32-10-9-18(37)31-11-12-59-20(40)8-6-4-3-5-7-19(38)39)14-52-58(49,50)55-57(47,48)51-13-17-23(54-56(44,45)46)22(41)28(53-17)36-16-35-21-25(30)33-15-34-26(21)36/h15-17,22-24,28,41-42H,3-14H2,1-2H3,(H,31,37)(H,32,43)(H,38,39)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-5/t17-,22-,23-,24+,28-/m1/s1
InChIKeyDBCRIBJPCBKAME-NOQDIWQESA-I
ChEBI Ontology
Outgoing Relation(s)
octanedioyl-CoA(5−) (CHEBI:76317) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
octanedioyl-CoA(5−) (CHEBI:76317) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
octanedioyl-CoA(5−) (CHEBI:76317) is conjugate base of octanedioyl-CoA (CHEBI:76352)
Incoming Relation(s)
octanedioyl-CoA (CHEBI:76352) is conjugate acid of octanedioyl-CoA(5−) (CHEBI:76317)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatoheptanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
octanedioyl-coenzyme A(5−)SUBMITTER
suberoyl-coenzyme A(5−)ChEBI
suberoyl-CoA(5−)ChEBI
UniProt Name  Source
octanedioyl-CoAUniProt