Structure database (LMSD)
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MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

LM ID	LMST01010146
Common Name	25-hydroxy-cholesterol(d6)
Systematic Name	cholest-5-en-3β,25-diol(d6)
Synonyms	-
Exact Mass	408.3868 (neutral) Calculate m/z:
Formula	C₂₇H₄₀D₆O₂
Category	Sterol Lipids [ST]
Main Class	Sterols [ST01]
Sub Class	Cholesterol and derivatives [ST0101]
PubChem CID	42608393
KEGG ID	C15519
HMDB ID	HMDB06247
CHEBI ID	42977
CAYMAN ID	11099
AVANTI ID	LM4113
InChIKey	INBGSXNNRGWLJU-KHKDDIDZSA-N Show lipids differing only in stereochemistry/bond geometry
InChI	InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3 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(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])CC[C@@]21[H])[H] Click to highlight SMILES
Status	Active (Isotopically labelled standard)
Comments	Synthetic deuterated standard

Structure database (LMSD)Return to Databases Overview