Structure Database (LMSD)

Common Name
18-methyl-5Z,9Z-eicosadienoic acid
Systematic Name
18-methyl-5Z,9Z-eicosadienoic acid
Synonyms
LM ID
LMFA01020225
Formula
C21H38O2
Exact Mass
Calculate m/z
322.28718
Sum Composition
FA 21:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
ZCRBEWRYMZXYQH-AMGMABBJSA-N
InChi (Click to copy)
InChI=1S/C21H38O2/c1-3-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21(22)23/h4-5,11,13,20H,3,6-10,12,14-19H2,1-2H3,(H,22,23)/b5-4-,13-11-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCC(C)CC)(=O)O

Other Databases

LIPIDAT ID
5152
PubChem CID
5312317

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 381.52
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.91
Molar Refractivity 100.77

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Created at
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Updated at
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