CLR

CHOLESTEROL

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is present as a standalone ligand in 820 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 12 entries

is present in a polymer sequence 1 entries

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Chemical Component Summary
Name	CHOLESTEROL
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
Formula	C₂₇ H₄₆ O
Molecular Weight	386.654
Type	NON-POLYMER
Isomeric SMILES	CC(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)O)C)C
InChI	InChI=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
InChIKey	HVYWMOMLDIMFJA-DPAQBDIFSA-N

Chemical Details
Formal Charge	0
Atom Count	74
Chiral Atom Count	8
Bond Count	77
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB04540
Name	Cholesterol
Groups	approved investigational
Description	The principal sterol of all higher animals, distributed in body tissues, especially the brain and spinal cord, and in animal fats and oils.
Synonyms	Cholest-5-en-3beta-ol Cholesterol (3β,14β,17α)-cholest-5-en-3-ol Cholesterin
Categories	BCRP/ABCG2 Inducers Cholestanes Cholestenes Fused-Ring Compounds Lipids Membrane Lipids P-glycoprotein inhibitors Steroids Sterols
CAS number	57-88-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nuclear receptor subfamily 1 group I member 3	MASREDELRNCVVCGDQATGYHFNALTCEGCKGFFRRTVSKSIGPTCPFA...	unknown
Vitamin D3 receptor	MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRR...	unknown
C-type lectin domain family 4 member E	MNSSKSSETQCTERGCFSSQMFLWTVAGIPILFLSACFITRCVVTFRIFQ...	unknown	ligand
Nuclear receptor ROR-alpha	MESAPAAPDPAASEPGSSGADAAAGSRETPLNQESARKSEPPAPVRRQSY...	unknown
P-glycoprotein 1	MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...	unknown	inhibitor
ATP-binding cassette sub-family G member 2	MSSSNVEVFIPVSQGNTNGFPATASNDLKAFTEGAVLSFHNICYRVKLKS...	unknown	inducer
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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