Structure Database (LMSD)

HO H H D D D OH D D D H H H
Common Name
27-hydroxy-cholesterol(d6)
Systematic Name
cholest-5-en-3β,27-diol(d6)
Synonyms
LM ID
LMST01010147
Formula
C27H40D6O2
Exact Mass
Calculate m/z
408.387442
Status
Active (Isotopically labelled standard)
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Main

Classification

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

String Representations

InChiKey (Click to copy)
FYHRJWMENCALJY-CDBHVEDQSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,17D2,18D
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC([2H])(C(O)([2H])[2H])C([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
17703
PubChem CID
42608394
Avanti ID
LM4114

Admin

Created at
-
Updated at
29th Jan 2021