Structure Database (LMSD)

Common Name
FAHFA 14:1(10Z)/3O(FA 3:0(2OH[S])
Systematic Name
2S-hydroxy-3-(10Z-tetradecenoyloxy)-propanoic acid
Synonyms
LM ID
LMFA07010692
Formula
C17H30O5
Exact Mass
Calculate m/z
314.209325
Sum Composition
FAHFA 17:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Alchornea laxiflora (#316698)
Magnoliopsida (#3398)
Two New Fatty Acid Derivatives from the Stem Bark ofAlchornealaxiflora(Euphorbiaceae),
J Am Oil Chem Soc, 2011

String Representations

InChiKey (Click to copy)
LIMKXIDXBKHPRU-XVWMLYKFSA-N
InChi (Click to copy)
InChI=1S/C17H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)22-14-15(18)17(20)21/h4-5,15,18H,2-3,6-14H2,1H3,(H,20,21)/b5-4-/t15-/m0/s1
SMILES (Click to copy)
C(CCCCCCCC/C=C\CCC)(=O)OC[C@H](O)C(O)=O

Other Databases

CHEBI ID
187799
PubChem CID
73242181

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 338.69
Topological Polar Surface Area 83.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.02
Molar Refractivity 86.59

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Created at
-
Updated at
11th Aug 2023