Structure Database (LMSD)

Common Name
Curvulalic acid
Systematic Name
9R-hydroxy-deca-2Z,4E-dienoic acid
Synonyms
LM ID
LMFA01050591
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
Curvularia sp. (#1715225)
Dothideomycetes (#147541)
Modiolide and pyrone derivatives from the sea fan-derived fungus Curvularia sp. PSU-F22.,
Arch Pharm Res, 2011
Pubmed ID: 21656354

String Representations

InChiKey (Click to copy)
BUNUAXLBBKVLBE-HKKCCPILSA-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

PubChem CID
57333102

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
20th Nov 2020
Updated at
20th Nov 2020