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CHEBI:747724 - propylmalonyl-CoA(5-)

Default Structure
ChEBI IDCHEBI:747724
ChEBI Namepropylmalonyl-CoA(5-)
Stars
Last Modified13 May 2026
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H39N7O19P3S
Net Charge-5
Average Mass890.628
Monoisotopic Mass890.12617
SMILESCCCC(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/C27H44N7O19P3S/c1-4-5-14(25(39)40)26(41)57-9-8-29-16(35)6-7-30-23(38)20(37)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-19(52-54(42,43)44)18(36)24(51-15)34-13-33-17-21(28)31-12-32-22(17)34/h12-15,18-20,24,36-37H,4-11H2,1-3H3,(H,29,35)(H,30,38)(H,39,40)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/t14?,15-,18-,19-,20+,24-/m1/s1
InChIKeyKIJUWBPJFSIWKM-XGXNYEOVSA-I
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
propylmalonyl-CoA(5-) (CHEBI:747724) is a 3-saturated-2-carboxyacyl-CoA(5-) (CHEBI:747723)
propylmalonyl-CoA(5-) (CHEBI:747724) is conjugate base of Propylmalonyl-CoA (CHEBI:81995)
UniProt Name  Source
propylmalonyl-CoAUniProt
Citations