CHEBI:57348 - 3-oxoadipyl-CoA(5−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxoadipyl-CoA(5−)
ChEBI ID CHEBI:57348
ChEBI ASCII Name 3-oxoadipyl-CoA(5-)
Definition Pentaanion of 3-oxoadipyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H37N7O20P3S
Net Charge -5
Average Mass 904.60400
Monoisotopic Mass 904.10544
InChI InChI=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
InChIKey VKKKAAPGXHWXOO-BIEWRJSYSA-I
SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC([O-])=O
ChEBI Ontology
Outgoing 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 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}
Synonym Source
3-oxoadipyl-CoA UniProt
Last Modified
24 November 2014