Structure Database (LMSD)

Common Name
10-methylene-octadecanoic acid
Systematic Name
10-methylene-octadecanoic acid
Synonyms
  • Octadecanoic acid, 10-methylene-
  • 10-Undecenoic acid, 10-octyl-
  • 10-Methylenestearic acid
LM ID
LMFA01020263
Formula
C19H36O2
Exact Mass
Calculate m/z
296.27153
Sum Composition
FA 19:1
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)
WLVDYCRJAOTRPO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h2-17H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCC(=C)CCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
5164
CHEBI ID
196582
PubChem CID
5312340

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 349.56
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.50
Molar Refractivity 91.70

Admin

Created at
-
Updated at
-