C3S
CHOLEST-5-EN-3-YL HYDROGEN SULFATE
Find entries where: C3S
is present as a standalone ligand in 8 entries
Chemical Component Summary | |
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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 | |
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Formal Charge | 0 |
Atom Count | 78 |
Chiral Atom Count | 8 |
Bond Count | 81 |
Aromatic Bond Count | 0 |
Drug Info: DrugBank
DrugBank ID | DB01990 |
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Name | Cholesterol sulfate |
Groups | experimental |
Description | Component of human seminal plasma & spermatozoa. |
Synonyms |
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Categories |
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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
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL1231592 |
PubChem | 65076 |
ChEMBL | CHEMBL1231592 |
ChEBI | CHEBI:41321 |