Structure Database (LMSD)

Common Name
Aleuritic acid
Systematic Name
9,10,16-trihydroxy-hexadecanoic acid
Synonyms
  • 9,10,16-trihydroxy palmitic acid
LM ID
LMFA01050101
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
View MassBank spectra

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)
MEHUJCGAYMDLEL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)
SMILES (Click to copy)
C(O)(CCCCCCO)C(O)CCCCCCCC(=O)O

References

Other Databases

CHEBI ID
177476
LIPIDBANK ID
DFA0367
PubChem CID
10790
PlantFA ID
10300

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

Admin

Created at
-
Updated at
-