Structure Database (LMSD)

O OH
Common Name
Isoarachidic acid
Systematic Name
18-methyl-nonadecanoic acid
Synonyms
LM ID
LMFA01020017
Formula
C20H40O2
Exact Mass
Calculate m/z
312.30283
Sum Composition
FA 20:0
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]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
UCDAVJCKGYOYNI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCC(C)C)CCCCCCCCC(=O)O

References

Other Databases

CHEBI ID
84899
LIPIDBANK ID
DFA0242
PubChem CID
4383090
PlantFA ID
10730

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 369.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.97
Molar Refractivity 96.35

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Created at
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Updated at
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