Metabolomics Structure Database

 
MW REGNO: 34396
Common Name:Lathosterol
Systematic Name:cholest-7-en-3beta-ol
RefMet Name:Lathosterol
Synonyms: [PubChem Synonyms]
Exact Mass:
386.3549 (neutral)    Calculate m/z:
Formula:C27H46O
InChIKey:IZVFFXVYBHFIHY-SKCNUYALSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Cholesterol and derivatives [ST0101]
NP-MRD NMR spectra:View NMR spectra
SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[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:

External database links:

PubChem CID:65728
LIPID MAPS ID:LMST01010089
CHEBI ID:17168
HMDB ID:HMDB0001170
KEGG ID:C01189
Chemspider ID:59151
METLIN ID:6052
MetaCyc ID:CPD-4186
NP-MRD ID(NMR):NP0000336
Plant Metabolite Hub(Pmhub):MS000017144

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

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