Structure Database (LMSD)

Common Name
2,4-dimethyl-2-pentacosenoic acid
Systematic Name
2,4-dimethyl-2-pentacosenoic acid
Synonyms
  • 2-Pentacosenoic acid, 2,4-dimethyl-
LM ID
LMFA01020256
Formula
C27H52O2
Exact Mass
Calculate m/z
408.39673
Sum Composition
FA 27:1
Status
Curated
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)
BXPRTTBUCAXWGA-SHHOIMCASA-N
InChi (Click to copy)
InChI=1S/C27H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(2)24-26(3)27(28)29/h24-25H,4-23H2,1-3H3,(H,28,29)/b26-24+
SMILES (Click to copy)
C(/C(/C)=C/C(C)CCCCCCCCCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
3169
PubChem CID
5312334

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 487.96
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.48
Molar Refractivity 128.57

Admin

Created at
-
Updated at
-