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CHEBI:29461 - 10-deoxymethynolide

ChEBI IDCHEBI:29461
ChEBI Name10-deoxymethynolide
Stars
DefinitionA macrolide that consists of oxacyclododec-9-ene-2,8-dione bearing four methyl substituents at positions 3, 5, 7 and 11 as well as a hydroxy group at position 4 and an ethyl substituent at position 12. The aglycone of the macrolide antibiotic 10-deoxymethymycin.
Last Modified6 August 2014
DownloadsMolfile
FormulaC17H28O4
Net Charge0
Average Mass296.407
Monoisotopic Mass296.19876
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]1C
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-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)
10-deoxymethynolide (CHEBI:29461) has role metabolite (CHEBI:25212)
10-deoxymethynolide (CHEBI:29461) is a macrolide (CHEBI:25106)
Incoming Relation(s)
10-deoxymethymycin (CHEBI:29706) has functional parent 10-deoxymethynolide (CHEBI:29461)
IUPAC Name 
(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
UniProt Name  Source
10-deoxymethynolideUniProt
Manual XrefsDatabases
C11993KEGG COMPOUND
LMPK04000034LIPID MAPS
E4HPDBeChem
Registry NumbersSources
Reaxys:4484068Reaxys
CAS:81644-19-1KEGG COMPOUND
CAS:81644-19-1ChemIDplus
Citations