Structure Database (LMSD)

Common Name
2-methyl-2-hexacosenoic acid
Systematic Name
2-methyl-2-hexacosenoic acid
Synonyms
  • 2-Hexacosenoic acid, 2-methyl-
LM ID
LMFA01020264
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)
NCBYNTHKMJPLDB-OCEACIFDSA-N
InChi (Click to copy)
InChI=1S/C27H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2)27(28)29/h25H,3-24H2,1-2H3,(H,28,29)/b26-25+
SMILES (Click to copy)
C(/C(/C)=C/CCCCCCCCCCCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
5183
PubChem CID
5312341

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 487.96
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.62
Molar Refractivity 128.64

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Created at
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Updated at
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