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CHEBI:63856 - 4,8-dimethylnonanoyl-CoA

ChEBI IDCHEBI:63856
ChEBI Name4,8-dimethylnonanoyl-CoA
Stars
DefinitionA medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4,8-dimethylnonanoic acid.
Last Modified21 April 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC32H56N7O17P3S
Net Charge0
Average Mass935.821
Monoisotopic Mass935.26662
SMILESCC(C)CCCC(C)CCC(=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/C32H56N7O17P3S/c1-19(2)7-6-8-20(3)9-10-23(41)60-14-13-34-22(40)11-12-35-30(44)27(43)32(4,5)16-53-59(50,51)56-58(48,49)52-15-21-26(55-57(45,46)47)25(42)31(54-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-21,25-27,31,42-43H,6-16H2,1-5H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t20?,21-,25-,26-,27+,31-/m1/s1
InChIKeyYGNKJFPEXQCWDB-ANHZDMDASA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
4,8-dimethylnonanoyl-CoA (CHEBI:63856) has functional parent 4,8-dimethylnonanoic acid (CHEBI:63864)
4,8-dimethylnonanoyl-CoA (CHEBI:63856) is a medium-chain fatty acyl-CoA (CHEBI:61907)
4,8-dimethylnonanoyl-CoA (CHEBI:63856) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100)
4,8-dimethylnonanoyl-CoA (CHEBI:63856) is conjugate acid of 4,8-dimethylnonanoyl-CoA(4-) (CHEBI:77061)
Incoming Relation(s)
4,8-dimethylnonanoyl-CoA(4-) (CHEBI:77061) is conjugate base of 4,8-dimethylnonanoyl-CoA (CHEBI:63856)
Synonym  Source
4,8-dimethylnonanoyl-Coenzyme AChEBI