CHEBI:63856 - 4,8-dimethylnonanoyl-CoA

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ChEBI Name 4,8-dimethylnonanoyl-CoA
ChEBI ID CHEBI:63856
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H56N7O17P3S
Net Charge 0
Average Mass 935.81000
Monoisotopic Mass 935.26663
InChI InChI=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
InChIKey YGNKJFPEXQCWDB-ANHZDMDASA-N
SMILES CC(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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 4,8-dimethylnonanoyl-CoA(4-) (CHEBI:77061) is conjugate base of 4,8-dimethylnonanoyl-CoA (CHEBI:63856)
Synonym Source
4,8-dimethylnonanoyl-Coenzyme A ChEBI
Last Modified
21 April 2015