Structure Database (LMSD)

O O OH OH OH
Common Name
Curvulalide
Systematic Name
4R,7S,8R-trihydroxy-2Z,5E-decadien-9R-olide
Synonyms
LM ID
LMFA07040141
Formula
C10H14O5
Exact Mass
Calculate m/z
214.084125
Sum Composition
FA 10:3;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
XVHODQZCEHEBGN-UPVLLSTMSA-N
InChi (Click to copy)
InChI=1S/C10H14O5/c1-6-10(14)8(12)4-2-7(11)3-5-9(13)15-6/h2-8,10-12,14H,1H3/b4-2+,5-3-/t6-,7-,8+,10+/m1/s1
SMILES (Click to copy)
C1(=O)C=C[C@H](O)C=C[C@H](O)[C@@H](O)[C@@H](C)O1

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

Other Databases

PubChem CID
163063217

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 205.23
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 0.27
Molar Refractivity 53.90

Admin

Created at
20th Nov 2020
Updated at
20th Nov 2020