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CHEBI:747725 - butylmalonyl-CoA(5-)

Default Structure
ChEBI IDCHEBI:747725
ChEBI Namebutylmalonyl-CoA(5-)
Stars
Last Modified13 May 2026
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H41N7O19P3S
Net Charge-5
Average Mass904.655
Monoisotopic Mass904.14182
SMILESCCCCC(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/C28H46N7O19P3S/c1-4-5-6-15(26(40)41)27(42)58-10-9-30-17(36)7-8-31-24(39)21(38)28(2,3)12-51-57(48,49)54-56(46,47)50-11-16-20(53-55(43,44)45)19(37)25(52-16)35-14-34-18-22(29)32-13-33-23(18)35/h13-16,19-21,25,37-38H,4-12H2,1-3H3,(H,30,36)(H,31,39)(H,40,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-5/t15?,16-,19-,20-,21+,25-/m1/s1
InChIKeyOSSGQGDHVMDIST-XGGCCDIMSA-I
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
butylmalonyl-CoA(5-) (CHEBI:747725) is a 3-saturated-2-carboxyacyl-CoA(5-) (CHEBI:747723)
UniProt Name  Source
butylmalonyl-CoAUniProt
Citations