Structure Database (LMSD)

Common Name
Ieodomycin B
Systematic Name
3S,dihydroxy-8-methyl-8E,10-undecadien-5R-olide
Synonyms
LM ID
LMFA07040110
Formula
C12H18O3
Exact Mass
Calculate m/z
210.125595
Sum Composition
FA 12:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bacillus (#1386)
Bacilli (#91061)
Ieodomycins A-D, antimicrobial fatty acids from a marine Bacillus sp.,
J Nat Prod, 2011
Pubmed ID: 21699149

String Representations

InChiKey (Click to copy)
UFMCBVUOEQAWAI-LTJOXERKSA-N
InChi (Click to copy)
InChI=1S/C12H18O3/c1-3-4-9(2)5-6-11-7-10(13)8-12(14)15-11/h3-4,10-11,13H,1,5-8H2,2H3/b9-4+/t10-,11+/m0/s1
SMILES (Click to copy)
[C@@H]1(OC(=O)C[C@@H](O)C1)CC/C(/C)=C/C=C

Other Databases

CHEBI ID
69906
PubChem CID
53387505

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 222.25
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.54
Molar Refractivity 59.33

Admin

Created at
27th May 2020
Updated at
27th May 2020