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CHEBI:180894 - (2S,6R,10R)-Trimethyl-hendecanoyl-CoA

ChEBI IDCHEBI:180894
ChEBI Name(2S,6R,10R)-Trimethyl-hendecanoyl-CoA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H62N7O17P3S
Net Charge0
Average Mass977.902
Monoisotopic Mass977.31357
SMILESCC(C)CCCC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChIInChI=1S/C35H62N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h19-24,27-29,33,44-45H,7-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)
InChIKeyQCNISQOYPUIJJO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2S,6R,10R)-Trimethyl-hendecanoyl-CoA (CHEBI:180894) is a fatty acyl-CoA (CHEBI:37554)
IUPAC Name 
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2,6,10-trimethylundecanethioate
Manual XrefsDatabases
HMDB0012471HMDB