Structure Database (LMSD)

Common Name
Ieodomycin D
Systematic Name
9R-hydroxy-2E,4E-decadienoic acid
Synonyms
LM ID
LMFA01050563
Formula
C10H16O3
Exact Mass
Calculate m/z
184.109945
Sum Composition
FA 10:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

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)
BUNUAXLBBKVLBE-WMCYJUNYSA-N
InChi (Click to copy)
InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,12,13)/b4-2+,8-6+/t9-/m1/s1
SMILES (Click to copy)
C(/C=C/C=C/CCC[C@H](O)C)(=O)O

Other Databases

CHEBI ID
69908
PubChem CID
53387507

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 200.01
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.02
Molar Refractivity 51.96

Admin

Created at
26th May 2020
Updated at
11th Feb 2021