Metabolomics Structure Database

 
MW REGNO: 75173
Common Name:4alpha-carboxy-4beta-methyl-zymosterol
Systematic Name:4alpha-carboxy-4beta-methyl-cholesta-8,24-dien-3beta-ol
RefMet Name:4alpha-Carboxy-4beta-methyl-zymosterol
Synonyms: [PubChem Synonyms]
Exact Mass:
442.3447 (neutral)    Calculate m/z:
Formula:C29H46O3
InChIKey:MYWAIWDQTCHPTH-TWCHZXKZSA-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]1CCC2C3CC[C@H]4[C@@](C)([C@@H](O)CC[C@]4(C)C=3CC[C@@]21C)C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:42608395
LIPID MAPS ID:LMST01010388
CHEBI ID:168659
HMDB ID:HMDB0001181
KEGG ID:C15808
Plant Metabolite Hub(Pmhub):MS000024833

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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