Structure Database (LMSD)

O OH O O HO O
Common Name
Glyceryl lactooleate
Systematic Name
2-{3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propoxy}propanoic acid
Synonyms
LM ID
LMFA07010900
Formula
C24H44O6
Exact Mass
Calculate m/z
428.31379
Sum Composition
WE 24:2;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
KOLAFJFESDNVMY-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)30-22(19-25)20-29-21(2)24(27)28/h10-11,21-22,25H,3-9,12-20H2,1-2H3,(H,27,28)/b11-10-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCCCC)OC(COC(C)C(O)=O)CO

References

Other Databases

HMDB ID
HMDB0032298
CHEBI ID
175480
PubChem CID
6435858

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 468.58
Topological Polar Surface Area 93.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 6.56
Molar Refractivity 121.47

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Created at
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Updated at
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