Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010008
Common Name7β-hydroxy-cholesterol(d7)
Systematic Namecholest-5-en-3β,7β-diol(d7)
Synonyms-
Exact Mass
409.3930 (neutral)    Calculate m/z:
FormulaC27H39D7O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID3247057
HMDB IDHMDB06119
CAYMAN ID25548
InChIKeyOYXZMSRRJOYLLO-SVAMASIOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H46O2/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/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1/i1D3,2D3,17D
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SMILES
[C@]12([C@@H](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]
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StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard