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CHEBI:59916 - methylmalonyl-CoA(5−)

ChEBI IDCHEBI:59916
ChEBI Namemethylmalonyl-CoA(5−)
Stars
ASCII Namemethylmalonyl-CoA(5-)
DefinitionPentaanion of methylmalonyl-CoA arising from deprotonation of carboxy, phosphate and diphosphate OH groups; major species at pH 7.3.
Last Modified28 March 2011
SubmitterAnne Morgat
DownloadsMolfile
FormulaC25H35N7O19P3S
Net Charge-5
Average Mass862.574
Monoisotopic Mass862.09487
SMILESCC(C(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]
InChIInChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-5/t12?,13-,16-,17-,18+,22-/m1/s1
InChIKeyMZFOKIKEPGUZEN-FBMOWMAESA-I
ChEBI Ontology
Outgoing Relation(s)
methylmalonyl-CoA(5−) (CHEBI:59916) is a acyl-CoA oxoanion (CHEBI:58946)
methylmalonyl-CoA(5−) (CHEBI:59916) is conjugate base of methylmalonyl-CoA (CHEBI:16625)
Incoming Relation(s)
methylmalonyl-CoA (CHEBI:16625) is conjugate acid of methylmalonyl-CoA(5−) (CHEBI:59916)
IUPAC Name 
3'-phosphonatoadenosine 5'-[3-(3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-carboxylatopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl) diphosphate]
Synonym  Source
methylmalonyl-CoA pentaanionChEBI
UniProt Name  Source
methylmalonyl-CoAUniProt