Structure Database (LMSD)

Common Name
13-hydroxy-docosanoic acid
Systematic Name
13-hydroxy-docosanoic acid
Synonyms
LM ID
LMFA01050210
Formula
C22H44O3
Exact Mass
Calculate m/z
356.329045
Sum Composition
FA 22:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Docosanoids [FA04]

String Representations

InChiKey (Click to copy)
BYCZEMFWXYCUSJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
SMILES (Click to copy)
C(CCCCCCCCCCCC(O)CCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
4588
KEGG ID
C03049
CHEBI ID
17314
PubChem CID
151842

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 412.89
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 7.15
Molar Refractivity 107.55

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Updated at
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