Structure Database (LMSD)

Common Name
Ieodomycin B
Systematic Name
3S,dihydroxy-8-methyl-8E,10-undecadien-5R-olide
Synonyms
LM ID
LMFA07040110
Status
Active
Exact Mass
Calculate m/z
210.125595
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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

Other Databases

CHEBI ID
PubChem CID

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