Structure Database (LMSD)

OH O OH
Common Name
Kerrolic acid
Systematic Name
4-hydroxy-hexadecanoic acid
Synonyms
  • 4-hydroxy-palmitic acid
LM ID
LMFA01050048
Formula
C16H32O3
Exact Mass
Calculate m/z
272.235145
Sum Composition
FA 16:0;O
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)
SPZURESODGZJAL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
SMILES (Click to copy)
C(C(O)CCCCCCCCCCCC)CC(=O)O

References

Other Databases

LIPIDBANK ID
DFA0314
PubChem CID
5282904

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 309.09
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.81
Molar Refractivity 79.85

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Created at
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Updated at
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