Metabolomics Structure Database

 
MW REGNO: 62984
Common Name:(24S)-7alpha,24-dihydroxy-5beta-cholestan-3-one
Systematic Name:(24S)-7alpha,24-dihydroxy-5beta-cholestan-3-one
Synonyms:5beta-cholestan-7alpha,24(S)-diol-3-one [PubChem Synonyms]
Exact Mass:
418.3447 (neutral)    Calculate m/z:
Formula:C27H46O3
InChIKey:FGKQZAUZOBFLBY-SYDAVTRCSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Cholesterol and derivatives [ST0101]
SMILES:CC(C)[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O)O
Studies:-

Select appropriate tab below to view additional details:

External database links:

PubChem CID:56927966
CHEBI ID:63829

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

  logo