Structure Database (LMSD)

O OH
Common Name
Methylarachidic acid
Systematic Name
(+)-18-methyl-eicosanoic acid
Synonyms
  • (+)-18-methyl-icosanoic acid
  • 18-MEA
LM ID
LMFA01020018
Formula
C21H42O2
Exact Mass
Calculate m/z
326.31848
Sum Composition
FA 21:0
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)
WSRCOZWDQPJAQT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O2/c1-3-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCC(C)CC)CCCCCCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Integral lipids of mammalian hair.,
Comp Biochem Physiol B, 1989
Pubmed ID: 2721159

Other Databases

CHEBI ID
84877
LIPIDBANK ID
DFA0243
PubChem CID
5282602
PlantFA ID
10821
Cayman ID
11009

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 386.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.36
Molar Refractivity 100.96

Admin

Created at
-
Updated at
16th Jun 2021