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CHEBI:747727 - hexylmalonyl-CoA(5-)

Default Structure
ChEBI IDCHEBI:747727
ChEBI Namehexylmalonyl-CoA(5-)
Stars
Last Modified13 May 2026
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H45N7O19P3S
Net Charge-5
Average Mass932.709
Monoisotopic Mass932.17312
SMILESCCCCCCC(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/C30H50N7O19P3S/c1-4-5-6-7-8-17(28(42)43)29(44)60-12-11-32-19(38)9-10-33-26(41)23(40)30(2,3)14-53-59(50,51)56-58(48,49)52-13-18-22(55-57(45,46)47)21(39)27(54-18)37-16-36-20-24(31)34-15-35-25(20)37/h15-18,21-23,27,39-40H,4-14H2,1-3H3,(H,32,38)(H,33,41)(H,42,43)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-5/t17?,18-,21-,22-,23+,27-/m1/s1
InChIKeyIYBMWUXSPSFNQT-PMDCUQHOSA-I
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
hexylmalonyl-CoA(5-) (CHEBI:747727) is a 3-saturated-2-carboxyacyl-CoA(5-) (CHEBI:747723)
UniProt Name  Source
hexylmalonyl-CoAUniProt
Manual XrefsDatabases
CPD-25687MetaCyc
Citations