CHEBI:29461 - 10-deoxymethynolide

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ChEBI Name 10-deoxymethynolide
ChEBI ID CHEBI:29461
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H28O4
Net Charge 0
Average Mass 296.40180
Monoisotopic Mass 296.19876
InChI InChI=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
InChIKey NZUJVBSYQXETNF-PQWITYJESA-N
SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@H]1C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 10-deoxymethynolide (CHEBI:29461) has role metabolite (CHEBI:25212)
10-deoxymethynolide (CHEBI:29461) is a macrolide (CHEBI:25106)
Incoming 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
Synonym Source
10-deoxymethynolide UniProt
Manual Xrefs Databases
C11993 KEGG COMPOUND
E4H PDBeChem
LMPK04000034 LIPID MAPS
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Registry Numbers Types Sources
4484068 Reaxys Registry Number Reaxys
81644-19-1 CAS Registry Number KEGG COMPOUND
81644-19-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17049185 PubMed citation Europe PMC
18548476 PubMed citation Europe PMC
20695498 PubMed citation Europe PMC
Last Modified
06 August 2014