dehydroepiandrosterone sulphate   Click here for help

GtoPdb Ligand ID: 4528

Abbreviated name: DHEAS
Synonyms: CCG-204473
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 91.88
Molecular weight 367.16
XLogP 1.74
No. Lipinski's rules broken 0
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Canonical SMILES O=C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)[O-]
Isomeric SMILES O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)[O-]
InChI InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/p-1/t13-,14-,15-,16-,18-,19-/m0/s1
1. Cha SH, Sekine T, Kusuhara H, Yu E, Kim JY, Kim DK, Sugiyama Y, Kanai Y, Endou H. (2000)
Molecular cloning and characterization of multispecific organic anion transporter 4 expressed in the placenta.
J Biol Chem, 275 (6): 4507-12. [PMID:10660625]
2. Craddock AL, Love MW, Daniel RW, Kirby LC, Walters HC, Wong MH, Dawson PA. (1998)
Expression and transport properties of the human ileal and renal sodium-dependent bile acid transporter.
Am J Physiol, 274 (1 Pt 1): G157-69. [PMID:9458785]
3. Fernandes CF, Godoy JR, Döring B, Cavalcanti MC, Bergmann M, Petzinger E, Geyer J. (2007)
The novel putative bile acid transporter SLC10A5 is highly expressed in liver and kidney.
Biochem Biophys Res Commun, 361 (1): 26-32. [PMID:17632081]
4. Geyer J, Godoy JR, Petzinger E. (2004)
Identification of a sodium-dependent organic anion transporter from rat adrenal gland.
Biochem Biophys Res Commun, 316 (2): 300-6. [PMID:15020217]
5. Meier PJ, Eckhardt U, Schroeder A, Hagenbuch B, Stieger B. (1997)
Substrate specificity of sinusoidal bile acid and organic anion uptake systems in rat and human liver.
Hepatology, 26 (6): 1667-77. [PMID:9398014]