Structure Database (LMSD)
Systematic Name
7α-hydroxy-4-cholesten-3-one-d7
Synonyms
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
7α-hydroxy-4-Cholesten-3-one-d7 is intended for use as an internal standard for the quantification of 7α-hydroxy-4-cholesten-3-one by GC- or LC-MS. 7α-hydroxy-4-Cholesten-3-one is a metabolite of 7α-hydroxy cholesterol and an intermediate in the biosynthesis of bile acids.1 Plasma levels of 7α-hydroxy-4-cholesten-3-one positively correlate with the rate of bile acid synthesis in humans and are increased in patients following ileal resection.2
This information has been provided by Cayman Chemical
References
1. Axelson, M., Aly, A., and Sjövall, J. Levels of 7α-hydroxy-4-cholesten-3-one in plasma reflect rates of bile acid synthesis in man. FEBS Lett. 239(2), 324-328 (1988).
References
Comments
Synthetic deuterated standard
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Synthetic deuterated standard
String Representations
InChiKey (Click to copy)
IOIZWEJGGCZDOL-CTNVFXSSSA-N
InChi (Click to copy)
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1/i1D3,2D3,17D
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])CC[C@@]4([H])[C@]3([H])[C@H](O)CC2=CC(=O)C1
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Created at
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Updated at
29th Jan 2021