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CHEBI:76327 - adipoyl-CoA(5−)

ChEBI IDCHEBI:76327
ChEBI Nameadipoyl-CoA(5−)
Stars
ASCII Nameadipoyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion that is the pentaanion of adipoyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups.
Last Modified2 February 2017
Submitterlaimo
DownloadsMolfile
FormulaC27H39N7O19P3S
Net Charge-5
Average Mass890.628
Monoisotopic Mass890.12617
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)CCCCC(=O)[O-]
InChIInChI=1S/C27H44N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h13-15,20-22,26,39-40H,3-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/t15-,20-,21-,22+,26-/m1/s1
InChIKeySPNAEHGLBRRCGL-BIEWRJSYSA-I
ChEBI Ontology
Outgoing Relation(s)
adipoyl-CoA(5−) (CHEBI:76327) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
adipoyl-CoA(5−) (CHEBI:76327) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
adipoyl-CoA(5−) (CHEBI:76327) is conjugate base of adipoyl-CoA (CHEBI:34528)
Incoming Relation(s)
adipoyl-CoA (CHEBI:34528) is conjugate acid of adipoyl-CoA(5−) (CHEBI:76327)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
hexanedioyl-coenzyme A(5−)SUBMITTER
hexanedioyl-CoA(5−)ChEBI
adipoyl-coenzyme A(5−)ChEBI
UniProt Name  Source
hexanedioyl-CoAUniProt