Structure Database (LMSD)

Common Name
Cladosporacid E
Systematic Name
9,10-dihydroxy-2E,4E-decadienoic acid
Synonyms
LM ID
LMFA01050579
Formula
C10H16O4
Exact Mass
Calculate m/z
200.10486
Sum Composition
FA 10:2;O2
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
Cladosporium cladosporioides (#29917)
Dothideomycetes (#147541)
Fatty acid derivatives from the halotolerant fungus Cladosporium cladosporioides.,
Magn Reson Chem, 2018
Pubmed ID: 28847042

String Representations

InChiKey (Click to copy)
UKEJNPOKFAQIRU-KPMZXABDSA-N
InChi (Click to copy)
InChI=1S/C10H16O4/c11-8-9(12)6-4-2-1-3-5-7-10(13)14/h1,3,5,7,9,11-12H,2,4,6,8H2,(H,13,14)/b3-1+,7-5+
SMILES (Click to copy)
C(/C=C/C=C/CCCC(O)CO)(=O)O

Other Databases

PubChem CID
156581614

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 208.80
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 1.28
Molar Refractivity 53.86

Admin

Created at
17th Jul 2020
Updated at
14th May 2021