Chemical Component Summary

Name3R-HYDROXYDECANOYL-COENZYME A
Synonyms3R-HYDROXYDECANOYL-COA
IdentifiersS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxydecanethioate
FormulaC31 H54 N7 O18 P3 S
Molecular Weight937.783
TypeNON-POLYMER
Isomeric SMILESCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O
InChIInChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1
InChIKeyHIVSMYZAMUNFKZ-PDQACDDGSA-N

Chemical Details

Formal Charge0
Atom Count114
Chiral Atom Count8
Bond Count116
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB03192 
Name(R)-3-hydroxydecanoyl-CoA
Groups experimental
Synonyms
  • (R)-3-hydroxydecanoyl-coenzyme A
  • (R)-3-hydroxydecanoyl-CoA

Drug Targets

NameTarget SequencePharmacological ActionActions
Peroxisomal multifunctional enzyme type 2MGSPLRFDGRVVLVTGAGAGLGRAYALAFAERGALVVVNDLGGDFKGVGK...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 447877
ChEBI CHEBI:74405