RefMet Compound Details

Created with Raphaƫl 2.1.0OOOHOHOH
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0118471
RefMet namePleuromutilin
Systematic name2-[(2'S,4aS,8S,8aS)-7-formyl-2',4,4,8a-tetramethyl-spiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-tetrahydrofuran]-2'-yl]acetic acid
SynonymsPubChem Synonyms
Exact mass378.240625 (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
FormulaC22H34O5View other entries in RefMet with this formula
Molecular descriptors
Molfile144378 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-1
2H2,2-5H3/t13?,14-,16+,18-,19-,20+,21-,22-/m0/s1
InChIKeyZRZNJUXESFHSIO-BKUNHTPHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC=C[C@]1(C)C[C@H]([C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@@H]23)[C@@H](C)[C@@H]1O)OC(=O)CO
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC20 isoprenoids
Distribution of Pleuromutilin in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Pleuromutilin
External Links
Pubchem CID9886081
ChEBI ID8269
KEGG IDC09169
EPA CompToxDTXCID2028646
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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