Structure Database (LMSD)

Common Name
11,12,15-trihydroxy palmitic acid
Systematic Name
11,12,15-trihydroxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050102
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)
SVZYWAXPIAVKCO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O5/c1-13(17)10-11-15(19)12-14(18)8-6-4-2-3-5-7-9-16(20)21/h13-15,17-19H,2-12H2,1H3,(H,20,21)
SMILES (Click to copy)
C(O)(CC(O)CCC(O)C)CCCCCCCCC(=O)O

References

Other Databases

CHEBI ID
187851
LIPIDBANK ID
DFA0368
PubChem CID
5282937

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
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
-