Structure database (LMSD)

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LM IDLMFA05000013
Common NameDepdecin
Systematic Name2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol
Synonyms2R,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
Exact Mass
228.0998 (neutral)    Calculate m/z:
FormulaC11H16O5
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283267
InChIKeyWWAQOPQUSWZTHG-SHEFQFEDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC(=C)[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]1O[C@H]1[C@H](O)CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings2Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
212.81Topological Polar
Surface Area
85.75Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP0.98Molar
Refractivity
59.32