Structure Database (LMSD)

Common Name
Tetracosanoic acid, 15,16-dihydroxy-, methyl ester
Systematic Name
Methyl 15,16-dihydroxy-tetracosanoate
Synonyms
LM ID
LMFA01050530
Formula
C25H50O4
Exact Mass
Calculate m/z
414.37091
Sum Composition
FA 25:0;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)
ANKIJNMJOZDVJY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O4/c1-3-4-5-6-14-17-20-23(26)24(27)21-18-15-12-10-8-7-9-11-13-16-19-22-25(28)29-2/h23-24,26-27H,3-22H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCC(O)C(O)CCCCCCCC)(=O)OC

References

Other Databases

PubChem CID
131839775
PlantFA ID
10482

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 473.58
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.28
Molar Refractivity 123.07

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Created at
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Updated at
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