Chemical Component Summary

NameCHOLEST-5-EN-3-YL HYDROGEN SULFATE
SynonymsCHOLESTEROL-SULFATE
Identifiers[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
FormulaC27 H46 O4 S
Molecular Weight466.717
TypeNON-POLYMER
Isomeric SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C
InChIInChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyBHYOQNUELFTYRT-DPAQBDIFSA-N

Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count8
Bond Count81
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB01990 
NameCholesterol sulfate
Groups experimental
DescriptionComponent of human seminal plasma & spermatozoa.
Synonyms
  • Cholesterol sulphate
  • Cholesterol 3-sulphate
  • Cholesteryl sulphate
  • Cholesterol hydrogen sulfate
  • Cholesterol-Sulfate
Categories
  • Anticarcinogenic Agents
  • Cholestanes
  • Cholestenes
  • Compounds used in a research, industrial, or household setting
  • Enzyme Inhibitors
CAS number1256-86-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Nuclear receptor ROR-alphaMESAPAAPDPAASEPGSSGADAAAGSRETPLNQESARKSEPPAPVRRQSY...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
Pharos CHEMBL1231592
PubChem 65076
ChEMBL CHEMBL1231592
ChEBI CHEBI:41321