Structure Database (LMSD)

Common Name
10-hydroxy-2Z-decenoic acid
Systematic Name
10-hydroxy-2Z-decenoic acid
Synonyms
LM ID
LMFA01050159
Formula
C10H18O3
Exact Mass
Calculate m/z
186.125595
Sum Composition
FA 10:1;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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
QHBZHVUGQROELI-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6-
SMILES (Click to copy)
C(/C=C\CCCCCCCO)(=O)O

Other Databases

LIPIDAT ID
4566
CHEBI ID
180140
PubChem CID
5312740

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 202.65
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.24
Molar Refractivity 52.05

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Created at
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Updated at
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