Structure database (LMSD)

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MDLMOL SDF CSV TSV MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM ID	LMST01010017
Common Name	Lanosterol (W)
Systematic Name	lanosta-8,24-dien-3β-ol
Synonyms	-
Exact Mass	426.3862 (neutral)    Calculate m/z: (Select m/z)[M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- M(neutral)
Formula	C30H50O
Category	Sterol Lipids [ST]
Main Class	Sterols [ST01]
Sub Class	Cholesterol and derivatives [ST0101]
LIPIDBANK ID	SST9081
PubChem CID	246983
KEGG ID	C01724
HMDB ID	HMDB0001251
CHEBI ID	16521
SWISSLIPIDS ID	SLM:000000311
CAYMAN ID	19521
InChIKey	CAHGCLMLTWQZNJ-BQNIITSRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16- 17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,2 5+,26+,28-,29-,30+/m1/s1
SMILES	C12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@@]([H])([C@@](C)([H])C C/C=C(\C)/C)CC[C@@]21C
MS Spectra	View MoNA MS spectra
MS Standard	View lipid standard
Status	Active
Calculated physicochemical properties (?):
Heavy Atoms 31 Rings 4 Aromatic Rings 0 Rotatable Bonds 4   van der Waals Molecular Volume 481.63 Topological Polar Surface Area 20.23 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 1   logP 8.77 Molar Refractivity 133.39