C3S

CHOLEST-5-EN-3-YL HYDROGEN SULFATE

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is present as a standalone ligand in 8 entries

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Chemical Component Summary
Name	CHOLEST-5-EN-3-YL HYDROGEN SULFATE
Synonyms	CHOLESTEROL-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
Formula	C₂₇ H₄₆ O₄ S
Molecular Weight	466.717
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)OS(=O)(=O)O)C)C
InChI	InChI=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
InChIKey	BHYOQNUELFTYRT-DPAQBDIFSA-N

Chemical Details
Formal Charge	0
Atom Count	78
Chiral Atom Count	8
Bond Count	81
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB01990 ?
Name	Cholesterol sulfate
Groups	experimental
Description	Component of human seminal plasma & spermatozoa.
Synonyms	Cholesterol hydrogen sulphate Cholest-5-en-3beta-ol sulfate Cholesterol sulfate Cholesterol sulphate Cholesterol-Sulfate Cholesterol hydrogen sulfate Cholesterol 3-sulphate Cholesterol 3-sulfate Cholesteryl sulphate
Categories	Anticarcinogenic Agents Cholestanes Cholestenes Compounds used in a research, industrial, or household setting Enzyme Inhibitors Fused-Ring Compounds Lipids Membrane Lipids Protease Inhibitors Protective Agents Serine Protease Inhibitors Steroids Sterols
CAS number	1256-86-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nuclear receptor ROR-alpha	MESAPAAPDPAASEPGSSGADAAAGSRETPLNQESARKSEPPAPVRRQSY...	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