Structure Database (LMSD)

O OH
Common Name
18-methyl-8Z,11Z,14Z-nonadecatrienoic acid
Systematic Name
18-methyl-8Z,11Z,14Z-nonadecatrienoic acid
Synonyms
LM ID
LMFA01020221
Formula
C20H34O2
Exact Mass
Calculate m/z
306.25588
Sum Composition
FA 20:3
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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
RKNDDVGTINXHOO-FSBKEEGASA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h4-7,11,13,19H,3,8-10,12,14-18H2,1-2H3,(H,21,22)/b6-4-,7-5-,13-11-
SMILES (Click to copy)
C(CCCCCC/C=C\C/C=C\C/C=C\CCC(C)C)(=O)O

References

Other Databases

LIPIDAT ID
5232
PubChem CID
5312314

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 361.58
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.30
Molar Refractivity 96.06

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Created at
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Updated at
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