Structure Database (LMSD)

Common Name
Ustilic acid B
Systematic Name
2R,15R,16-Trihydroxyhexadecanoic acid
Synonyms
  • 2,15,16-Trihydroxyhexadecanoic acid, (2R,15R)-
  • R,R-2,15,16-Trihydroxypalmitic acid
LM ID
LMFA01050539
Formula
C16H32O5
Exact Mass
Calculate m/z
304.224975
Sum Composition
FA 16:0;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
IZPRWLOIBRTQDF-HUUCEWRRSA-N
InChi (Click to copy)
InChI=1S/C16H32O5/c17-13-14(18)11-9-7-5-3-1-2-4-6-8-10-12-15(19)16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15-/m1/s1
SMILES (Click to copy)
C([C@H](O)CCCCCCCCCCCC[C@@H](O)CO)(=O)O

References

Other Databases

PubChem CID
131839779
PlantFA ID
10299

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 326.67
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.32
Molar Refractivity 83.65

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Created at
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Updated at
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