RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135698
RefMet name4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Systematic name4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
SynonymsPubChem Synonyms
Exact mass428.365431 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC29H48O2View other entries in RefMet with this formula
Molecular descriptors
Molfile34519 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyLEUVIESGHNFBEK-WKYRUEGDSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H]([C@@](C)(CO)[C@@H]1CC3)O)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassSterol Lipids
Main ClassSterols
Sub ClassCholesterols
Distribution of 4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
External Links
Pubchem CID22298936
LIPID MAPSLMST01010232
ChEBI ID87289
HMDB IDHMDB0062390
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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