CLR

CHOLESTEROL

CLR in polymers: 1 entry. Examples include: 5MBW

CLR as a free ligand exists in 162 entries. Examples include: 5IU4 1N83 5AW2

Find related ligands: Stereoisomers Similar ligands Chemical Structure Search

View summary at Ligand Expo



Chemical Component Summary

NameCHOLESTEROL
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-ol
FormulaC27 H46 O
Molecular Weight386.65
TypeNON-POLYMER
Isomeric SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N

Chemical Details

Formal Charge0
Atom Count74
Chiral Atom Count8
Chiral AtomsC10, C13, C14, C17, C20, C3, C8, C9
Bond Count77
Aromatic Bond Count0
Leaving Atomsn/a

Drug Info: DrugBank

DrugBank IDDB04540 Different stereochemistry
NameCholesterol
Groupsexperimental
DescriptionThe principal sterol of all higher animals, distributed in body tissues, especially the brain and spinal cord, and in animal fats and oils. [PubChem]
Salts
  • Cholesteryl chloride
  • Cholesteryl sulfate
Categories
  • Anticarcinogenic Agents
  • Antineoplastic Agents
  • BCRP/ABCG2 Substrates
  • Chemical Actions and Uses
  • Cholestanes
CAS number57-88-5

Drug Targets

NameSequence SearchPharmacological 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