Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	34495
Common Name:	4,4-dimethyl-5alpha-cholest-7-en-3beta-ol
Systematic Name:	4,4-dimethyl-5alpha-cholest-7-en-3beta-ol
RefMet Name:	4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol
Synonyms:	4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol; 4,4-dimethyl-5alpha-cholest-7-en-3beta-ol [PubChem Synonyms]
Exact Mass:	414.3862 (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:	C29H50O
InChIKey:	UVNXFLZMQCAWCP-RCTKLBHESA-N
LIPID MAPS Category:	Sterol Lipids [ST]
LIPID MAPS mainclass:	Sterols [ST01]
LIPID MAPS subclass:	Cholesterol and derivatives [ST0101]
SMILES:	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5460076
LIPID MAPS ID:	LMST01010207
CHEBI ID:	16455
HMDB ID:	HMDB0304161
KEGG ID:	C04530
MetaCyc ID:	44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET
Plant Metabolite Hub(Pmhub):	MS000018383

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