Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010147
Common Name27-hydroxy-cholesterol(d6)
Systematic Namecholest-5-en-3β,27-diol(d6)
Synonyms-
Exact Mass
408.3868 (neutral)    Calculate m/z:
FormulaC27H40D6O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID42608394
CHEBI ID17703
AVANTI IDLM4114
InChIKeyFYHRJWMENCALJY-CDBHVEDQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
Click to highlight InChI
SMILES
[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]
Click to highlight SMILES
StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard