Structure Database (LMSD)

HO H H D D D D D D H H H
Common Name
Desmosterol(d6)
Systematic Name
cholest-5,24-dien-3β-ol(d6)
Synonyms
LM ID
LMST01010090
Formula
C27H38D6O
Exact Mass
Calculate m/z
390.376877
Status
Active (Isotopically labelled standard)
Show lipids differing only in stereochemistry/bond geometry
View lipid standard

Main

Classification

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

String Representations

InChiKey (Click to copy)
AVSXSVCZWQODGV-QSOBUISFSA-N
InChi (Click to copy)
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3
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])CC/C=C(/C([2H])([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

KEGG ID
C01802
HMDB ID
HMDB02719
CHEBI ID
17737
PubChem CID
5314026
Cayman ID
26777

Admin

Created at
-
Updated at
29th Jan 2021