Structure Database (LMSD)

Common Name
4-hydroxy-tridecanoic acid
Systematic Name
4-hydroxy-tridecanoic acid
Synonyms
LM ID
LMFA01050041
Formula
C13H26O3
Exact Mass
Calculate m/z
230.188195
Sum Composition
FA 13:0;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]

String Representations

InChiKey (Click to copy)
XGRUVWYMXLQICK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-12(14)10-11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
SMILES (Click to copy)
C(C(O)CCCCCCCCC)CC(=O)O

Other Databases

CHEBI ID
180393
LIPIDBANK ID
DFA0307
PubChem CID
5282902

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 257.19
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.64
Molar Refractivity 66.00

Admin

Created at
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Updated at
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