Structure Database (LMSD)

Common Name
2-Hydroxy-22-methyltetracosanoic acid
Systematic Name
2-hydroxy-22-methyltetracosanoic acid
Synonyms
LM ID
LMFA01030969
Formula
C25H50O3
Exact Mass
Calculate m/z
398.375995
Sum Composition
FA 25:0;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
IJYLBYZUFMZUOS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O3/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(26)25(27)28/h23-24,26H,3-22H2,1-2H3,(H,27,28)
SMILES (Click to copy)
CCC(CCCCCCCCCCCCCCCCCCCC(C(O)=O)O)C

Other Databases

HMDB ID
HMDB0040909
CHEBI ID
172636
PubChem CID
23427392

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 464.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 8.18
Molar Refractivity 121.33

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Updated at
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