Structure Database (LMSD)

Common Name
7-oxocholesterol(d7)
Systematic Name
7-oxo-cholest-5-en-3β-ol(d7)
Synonyms
LM ID
LMST01010005
Formula
Exact Mass
Calculate m/z
407.378069
Status
Active (Isotopically labelled standard)


Main

Classification

String Representations

InChiKey (Click to copy)
YIKKMWSQVKJCOP-KVZGVLACSA-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/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1/i1D3,2D3,17D
SMILES (Click to copy)
[C@]12(C(=O)C=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])(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

HMDB ID
PubChem CID
Cayman ID

Admin

Created at
-
Updated at
29th Jan 2021