Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	34490
Common Name:	4alpha-methylzymosterol
Systematic Name:	4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol
RefMet Name:	4alpha-Methylzymosterol
Synonyms:	(3beta,4alpha,5alpha)-4-methylcholesta-8,24-dien-3-ol; 4alpha-Methylzymosterol [PubChem Synonyms]
Exact Mass:	398.3549 (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:	C28H46O
InChIKey:	FOUJWBXBKVVHCJ-YIJYGBTNSA-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@@H](C)[C@@H]1CC3)O)C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	22212495
LIPID MAPS ID:	LMST01010202
CHEBI ID:	1949
HMDB ID:	HMDB0001217
KEGG ID:	C05103
Chemspider ID:	20036827
METLIN ID:	6087
MetaCyc ID:	4-METHYL-824-CHOLESTADIENOL
Plant Metabolite Hub(Pmhub):	MS000018563

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