Structure Database (LMSD)

Common Name
18-methyl-5Z,8Z,11Z,14Z-nonadecatetraenoic acid
Systematic Name
18-methyl-5Z,8Z,11Z,14Z-nonadecatetraenoic acid
Synonyms
LM ID
LMFA01020222
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Sum Composition
FA 20:4
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)
RYZDSXURMZIIOO-XBOCNYGYSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h4-7,10-13,19H,3,8-9,14-18H2,1-2H3,(H,21,22)/b6-4-,7-5-,12-10-,13-11-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C)(=O)O

Other Databases

LIPIDAT ID
5231
PubChem CID
5312315

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 358.94
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.07
Molar Refractivity 95.97

Admin

Created at
-
Updated at
-