Structure Database (LMSD)

OH HO O OH
Common Name
2,15-dihydroxy-pentadecylic acid
Systematic Name
2,15-dihydroxy-pentadecanoic acid
Synonyms
LM ID
LMFA01050082
Formula
C15H30O4
Exact Mass
Calculate m/z
274.21441
Sum Composition
FA 15:0;O2
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)
BYSNBUIZJVDCKG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O4/c16-13-11-9-7-5-3-1-2-4-6-8-10-12-14(17)15(18)19/h14,16-17H,1-13H2,(H,18,19)
SMILES (Click to copy)
C(CO)CCCCCCCCCCCC(O)C(=O)O

References

Other Databases

CHEBI ID
168166
LIPIDBANK ID
DFA0348
PubChem CID
5282924

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 300.58
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.68
Molar Refractivity 77.13

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Created at
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Updated at
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