Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010005
Common Name7-oxocholesterol(d7)
Systematic Name7-oxo-cholest-5-en-3β-ol(d7)
Synonyms-
Exact Mass
407.3774 (neutral)    Calculate m/z:
FormulaC27H37D7O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID3247054
HMDB IDHMDB00501
CAYMAN ID25972
InChIKeyYIKKMWSQVKJCOP-KVZGVLACSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
Click to highlight InChI
SMILES
[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]
Click to highlight SMILES
StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard