Structure Database (LMSD)

Common Name
5,6beta-epoxy-cholesterol(d7)
Systematic Name
5,6β-epoxy-5β-cholestan-3β-ol(d7)
Synonyms
LM ID
LMST01010009
Formula
C27H39D7O2
Exact Mass
Calculate m/z
409.393719
Status
Active (Isotopically labelled standard)
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
PRYIJAGAEJZDBO-BMFYFLSCSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1/i1D3,2D3,17D
SMILES (Click to copy)
[C@]12(C[C@H]3O[C@@]43C[C@@H](O)CC[C@]4(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])CC[C@@]21[H])[H]

References

Comments
Synthetic deuterated standard

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

Other Databases

CHEBI ID
28164
PubChem CID
3247058

Admin

Created at
-
Updated at
29th Jan 2021