Structure Database (LMSD)

Common Name
7-Methoxy-9-methyl-4E,8E-hexadecadienoic acid
Systematic Name
7-Methoxy-9-methyl-4E,8E-hexadecadienoic acid
Synonyms
LM ID
LMFA01080011
Formula
C18H32O3
Exact Mass
Calculate m/z
296.235145
Sum Composition
FA 18:2;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Methoxy fatty acids [FA0108]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
RDADKZPYWXITRK-ZNNSQMGQSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-4-5-6-7-9-12-16(2)15-17(21-3)13-10-8-11-14-18(19)20/h8,10,15,17H,4-7,9,11-14H2,1-3H3,(H,19,20)/b10-8+,16-15+
SMILES (Click to copy)
C(O)(=O)CC/C=C/CC(OC)/C=C(\C)/CCCCCCC

Other Databases

PubChem CID
21773182

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 338.41
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.41
Molar Refractivity 89.07

Admin

Created at
-
Updated at
-