Structure Database (LMSD)

HO H H H OH D D D H H
Common Name
25-hydroxy-cholesterol(d3)
Systematic Name
cholest-5-en-3β,25-diol(d3)
Synonyms
LM ID
LMST01010002
Formula
C27H43D3O2
Exact Mass
Calculate m/z
405.368611
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)
INBGSXNNRGWLJU-HQTLNVIASA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3/t18-,20+,21+,22-,23+,24+,25?,26+,27-
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(C([2H])([2H])[2H])(O)C)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
C15519
HMDB ID
HMDB06247
CHEBI ID
37616
PubChem CID
3247051

Admin

Created at
-
Updated at
29th Jan 2021