Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010093
Common NameCholesterol(d7) (W)
Systematic Namecholest-5-en-3β-ol(d7)
Synonyms-
Exact Mass
393.3981 (neutral)    Calculate m/z:
FormulaC27H39D7O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID5314029
KEGG IDC00187
HMDB IDHMDB00067
CHEBI ID16113
CAYMAN ID25265
AVANTI IDLM4100
InChIKeyHVYWMOMLDIMFJA-IFAPJKRJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
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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(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