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CHEBI:28562 - farnesoyl-CoA

ChEBI IDCHEBI:28562
ChEBI Namefarnesoyl-CoA
Stars
DefinitionA multi-methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of farnesoic acid.
Secondary ChEBI IDsCHEBI:4979, CHEBI:24015
Last Modified3 August 2014
DownloadsMolfile
FormulaC36H58N7O17P3S
Net Charge0
Average Mass985.881
Monoisotopic Mass985.28227
SMILES[H]C(CCC(C)=C([H])C(=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)=C(C)CCC=C(C)C
InChIInChI=1S/C36H58N7O17P3S/c1-22(2)9-7-10-23(3)11-8-12-24(4)17-27(45)64-16-15-38-26(44)13-14-39-34(48)31(47)36(5,6)19-57-63(54,55)60-62(52,53)56-18-25-30(59-61(49,50)51)29(46)35(58-25)43-21-42-28-32(37)40-20-41-33(28)43/h9,11,17,20-21,25,29-31,35,46-47H,7-8,10,12-16,18-19H2,1-6H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t25-,29-,30-,31+,35-/m1/s1
InChIKeyJJFLTPJLELNRAZ-VTINEICCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
farnesoyl-CoA (CHEBI:28562) has functional parent coenzyme A (CHEBI:15346)
farnesoyl-CoA (CHEBI:28562) has functional parent farnesoic acid (CHEBI:36969)
farnesoyl-CoA (CHEBI:28562) is a medium-chain fatty acyl-CoA (CHEBI:61907)
farnesoyl-CoA (CHEBI:28562) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100)
farnesoyl-CoA (CHEBI:28562) is a unsaturated fatty acyl-CoA (CHEBI:51006)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3,7,10-trimethyldodeca-2,6,10-trienoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
Synonyms  Source
Farnesoyl-CoAKEGG COMPOUND
farnesoyl-coenzyme AChEBI
3,7,11-trimethyldodeca-2,6,10-trienoyl-CoAChEBI
3,7,11-trimethyldodeca-2,6,10-trienoyl-coenzyme AChEBI
Manual XrefsDatabases
C02030KEGG COMPOUND