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CHEBI:165617 - Dimethylnonanoyl-CoA

ChEBI IDCHEBI:165617
ChEBI NameDimethylnonanoyl-CoA
Stars
SubmitterMetaboLights
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(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-LGLHWRHVSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
Dimethylnonanoyl-CoA (CHEBI:165617) is a fatty acyl-CoA (CHEBI:37554)
IUPAC Name 
S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4,8-dimethylnonanethioate