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CHEBI:57348 - 3-oxoadipyl-CoA(5−)

ChEBI IDCHEBI:57348
ChEBI Name3-oxoadipyl-CoA(5−)
Stars
ASCII Name3-oxoadipyl-CoA(5-)
DefinitionPentaanion of 3-oxoadipyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Last Modified24 November 2014
DownloadsMolfile
FormulaC27H37N7O20P3S
Net Charge-5
Average Mass904.611
Monoisotopic Mass904.10544
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)CCC(=O)[O-]
InChIInChI=1S/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15,20-22,26,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t15-,20-,21-,22+,26-/m1/s1
InChIKeyVKKKAAPGXHWXOO-BIEWRJSYSA-I
ChEBI Ontology
Outgoing Relation(s)
3-oxoadipyl-CoA(5−) (CHEBI:57348) is a acyl-CoA oxoanion (CHEBI:58946)
3-oxoadipyl-CoA(5−) (CHEBI:57348) is conjugate base of 3-oxoadipyl-CoA (CHEBI:15490)
Incoming Relation(s)
3-oxoadipyl-CoA (CHEBI:15490) is conjugate acid of 3-oxoadipyl-CoA(5−) (CHEBI:57348)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxylato-3-oxopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
UniProt Name  Source
3-oxoadipyl-CoAUniProt