Structure Database (LMSD)

OH O OH
Common Name
2-hydroxy enanthoic acid
Systematic Name
2-hydroxy-heptanoic acid
Synonyms
LM ID
LMFA01050016
Formula
C7H14O3
Exact Mass
Calculate m/z
146.094295
Sum Composition
FA 7:0;O
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]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
RGMMREBHCYXQMA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O3/c1-2-3-4-5-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
SMILES (Click to copy)
C(CCCC)C(O)C(=O)O

References

Other Databases

CHEBI ID
73752
LIPIDBANK ID
DFA0282
PubChem CID
2750949

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 153.39
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.30
Molar Refractivity 38.30

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Created at
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Updated at
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