RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135161
RefMet name10-Deoxymethynolide
Systematic name(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
SynonymsPubChem Synonyms
Exact mass296.198760 (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
FormulaC17H28O4View other entries in RefMet with this formula
Molecular descriptors
Molfile21306 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13
-,15-,16+/m1/s1
InChIKeyNZUJVBSYQXETNF-PQWITYJESA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC[C@@H]1[C@H](C)/C=C/C(=O)[C@H](C)C[C@H](C)[C@@H]([C@@H](C)C(=O)O1)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPolyketides
Main ClassMacrolides
Sub ClassMacrolides
Distribution of 10-Deoxymethynolide in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 10-Deoxymethynolide
External Links
Pubchem CID5282031
LIPID MAPSLMPK04000034
ChEBI ID29461
KEGG IDC11993
Spectral data for 10-Deoxymethynolide standards
NP-MRD ID(NMR)View NMR spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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