Structure Database (LMSD)

OH O HO
Common Name
omega-hydroxy enanthoic acid
Systematic Name
7-hydroxy-heptanoic acid
Synonyms
LM ID
LMFA01050019
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)
PNAJBOZYCFSQDJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O3/c8-6-4-2-1-3-5-7(9)10/h8H,1-6H2,(H,9,10)
SMILES (Click to copy)
C(CCCCO)CC(=O)O

References

Other Databases

CHEBI ID
79112
LIPIDBANK ID
DFA0285
PubChem CID
138016

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
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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