Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	34466
Common Name:	14-demethyllanosterol
Systematic Name:	4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol
RefMet Name:	14-Demethyllanosterol
Synonyms:	(3beta,5alpha)-4,4-dimethylcholesta-8,24-dien-3-ol; 14-Demethyllanosterol; 4,4-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol; 4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol; 4,4-dimethylzymosterol [PubChem Synonyms]
Exact Mass:	412.3705 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C29H48O
InChIKey:	CHGIKSSZNBCNDW-QGBOJXOESA-N
LIPID MAPS Category:	Sterol Lipids [ST]
LIPID MAPS mainclass:	Sterols [ST01]
LIPID MAPS subclass:	Cholesterol and derivatives [ST0101]
SMILES:	CC(=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](C(C)(C)[C@@H]1CC3)O)C
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	165609
LIPID MAPS ID:	LMST01010176
CHEBI ID:	18364
HMDB ID:	HMDB0001286
KEGG ID:	C05108
MetaCyc ID:	44-DIMETHYL-824-CHOLESTADIENOL
Plant Metabolite Hub(Pmhub):	MS000018566

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y