Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020222
Common Name18-methyl-5Z,8Z,11Z,14Z-nonadecatetraenoic acid
Systematic Name18-methyl-5Z,8Z,11Z,14Z-nonadecatetraenoic acid
Synonyms-
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 20:4
LIPIDAT ID5231
PubChem CID5312315
InChIKeyRYZDSXURMZIIOO-XBOCNYGYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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-
Click to highlight InChI
SMILES
C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C)(=O)O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
358.94Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.07Molar
Refractivity
95.97