Metabolomics Structure Database

 
MW REGNO: 34457
Common Name:3-dehydro-4-methylzymosterol
Systematic Name:4-methyl-5alpha-cholesta-8,24-dien-3-one
Synonyms:(5alpha)-4-methylcholesta-8,24-dien-3-one; 3-Keto-4-methylzymosterol [PubChem Synonyms]
Exact Mass:
396.3392 (neutral)    Calculate m/z:
Formula:C28H44O
InChIKey:DBPZYKHQDWKORQ-MWEYQPRESA-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)CCC(=O)C(C)[C@@H]1CC3)C
Studies:-

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External database links:

PubChem CID:24906328
LIPID MAPS ID:LMST01010167
CHEBI ID:50593
HMDB ID:HMDB0006838
KEGG ID:C15816
MetaCyc ID:CPD-4578
Plant Metabolite Hub(Pmhub):MS000024835

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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