Structure Database (LMSD)

Common Name
10-Deoxymethynolide
Systematic Name
Synonyms
LM ID
LMPK04000034
Formula
C17H28O4
Exact Mass
Calculate m/z
296.19876
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces venezuelae (#54571)
Actinomycetes (#1760)
Total synthesis of 10-deoxymethynolide and narbonolide.,
J Org Chem, 2008
Pubmed ID: 18205385

String Representations

InChiKey (Click to copy)
NZUJVBSYQXETNF-PQWITYJESA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@H]1([C@@H](C)C(=O)O[C@H](CC)[C@H](C)C=CC([C@H](C)C[C@@H]1C)=O)O

Other Databases

KEGG ID
C11993
CHEBI ID
29461
PubChem CID
5282031
PDB ID
E4H

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 317.54
Topological Polar Surface Area 65.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.32
Molar Refractivity 82.62

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Created at
-
Updated at
3rd May 2022