Structure Database (LMSD)

O HO OH O OH
Common Name
3-hydroxy-tetradecanedioic acid
Systematic Name
3-hydroxy-tetradecanedioic acid
Synonyms
LM ID
LMFA01170094
Formula
C14H26O5
Exact Mass
Calculate m/z
274.178025
Sum Composition
FA 14:1;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
CEDZIURHISELSQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19)
SMILES (Click to copy)
C(=O)(O)CC(O)CCCCCCCCCCC(=O)O

References

Other Databases

HMDB ID
HMDB0000394
CHEBI ID
89276
PubChem CID
20848956

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 289.43
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.09
Molar Refractivity 72.58

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Created at
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Updated at
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