Structure Database (LMSD)

Common Name
11-methyl-octadecanoic acid
Systematic Name
11-methyl-octadecanoic acid
Synonyms
LM ID
LMFA01020210
Formula
C19H38O2
Exact Mass
Calculate m/z
298.28718
Sum Composition
FA 19:0
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]

String Representations

InChiKey (Click to copy)
XBRZUTLRIVYERP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-3-4-5-9-12-15-18(2)16-13-10-7-6-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCCC(C)CCCCCCC)(=O)O

Other Databases

LIPIDAT ID
5258
CHEBI ID
179626
PubChem CID
5312306
PlantFA ID
10807

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 352.20
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.58
Molar Refractivity 91.73

Admin

Created at
-
Updated at
-