RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0157870
RefMet name3-O-alpha-Mycarosylerythronolide B
Systematic name(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
SynonymsPubChem Synonyms
Exact mass546.340400 (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
FormulaC28H50O10View other entries in RefMet with this formula
Molecular descriptors
Molfile51689 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20
/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3/t13-,14+,15+,16+,17-,18+,19-,20+,22+,23+,24-,25+,27-,28-/m1/s1
InChIKeyWWWXDCNRNMZGEN-UPOWUTDQSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC[C@@H]1[C@H](C)[C@@H]([C@@H](C)C(=O)[C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)O1)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)O)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPolyketides
Main ClassMacrolides
Sub ClassMacrolides
Distribution of 3-O-alpha-Mycarosylerythronolide B in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 3-O-alpha-Mycarosylerythronolide B
External Links
Pubchem CID441108
ChEBI ID28343
KEGG IDC06630
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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