Structure Database (LMSD)

OH OH OH HO O
Common Name
2,15,16-trihydroxy palmitic acid
Systematic Name
2,15,16-trihydroxy-hexadecanoic acid
Synonyms
  • Ustilic acid
LM ID
LMFA01050099
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)
IJBFCIWULVHRPT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O5/c17-14(16(20)21)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h14-15,17-19H,1-13H2,(H,20,21)
SMILES (Click to copy)
C(CCCCCC(O)O)CCCCCCCC(O)C(=O)O

References

Other Databases

CHEBI ID
187386
LIPIDBANK ID
DFA0365
PubChem CID
5282935

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 3.39
Molar Refractivity 82.91

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Created at
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Updated at
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