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CHEBI:28343 - 3-O-α-mycarosylerythronolide B

Default Structure
ChEBI IDCHEBI:28343
ChEBI Name3-O-α-mycarosylerythronolide B
Stars
ASCII Name3-O-alpha-mycarosylerythronolide B
Secondary ChEBI IDsCHEBI:1616, CHEBI:19951
Last Modified19 February 2014
DownloadsMolfile
FormulaC28H50O10
Net Charge0
Average Mass546.698
Monoisotopic Mass546.34040
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
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-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-O-α-mycarosylerythronolide B (CHEBI:28343) is a erythronolide (CHEBI:23955)
IUPAC Name 
(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
Synonyms  Source
3-O-Mycarosylerythronolide BKEGG COMPOUND
4-(4,5-dihydroxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dioneChemIDplus
Antibiotic A-31438ChemIDplus
UniProt Name  Source
3-O-α-L-mycarosylerythronolide BUniProt
Manual XrefsDatabases
C06630KEGG COMPOUND
Registry NumbersSources
CAS:34698-88-9ChemIDplus