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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S,6R,10R)-Trimethyl-hendecanoyl-CoA
ChEBI ID CHEBI:180894
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB94798094, ChemicalBook:CB52622685, ChemicalBook:CB5274961, ChemicalBook:CB1252206, eMolecules:31226118, eMolecules:2736271, Selleckchem:fluticasone-propionate-Flonase-Veramyst, ZINC000003920027
Download Molfile XML SDF
Formula C35H62N7O17P3S
Net Charge 0
Average Mass 977.890
Monoisotopic Mass 977.31358
InChI InChI=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)
InChIKey QCNISQOYPUIJJO-UHFFFAOYSA-N
SMILES S(C(=O)C(CCCC(CCCC(C)C)C)C)CCNC(=O)CCNC(=O)C(O)C(COP(OP(OCC1OC(N2C3=NC=NC(N)=C3N=C2)C(O)C1OP(O)(O)=O)(O)=O)(O)=O)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
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 (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 Xref Database
HMDB0012471 HMDB
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