Structure Database (LMSD)

OH OH OH O O
Common Name
Depdecin
Systematic Name
2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol
Synonyms
  • 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-undeca-5E,19-dien-1-ol
  • (2R,3S,4S,5E,7S,8S,9R)-2,9-dihydroxy-3,4,7,8-diepoxy-undeca-5,10-diene
LM ID
LMFA05000013
Formula
C11H16O5
Exact Mass
Calculate m/z
228.099775
Sum Composition
FOH 11:4;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
WWAQOPQUSWZTHG-SHEFQFEDSA-N
InChi (Click to copy)
InChI=1S/C11H16O5/c1-2-6(13)10-8(15-10)3-4-9-11(16-9)7(14)5-12/h2-4,6-14H,1,5H2/b4-3+/t6-,7-,8+,9+,10+,11+/m1/s1
SMILES (Click to copy)
C(=C)[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]1O[C@H]1[C@H](O)CO

References

Other Databases

CHEBI ID
73749
PubChem CID
5283267

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 212.81
Topological Polar Surface Area 85.75
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 0.98
Molar Refractivity 59.32

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Created at
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Updated at
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