Structure Database (LMSD)

OH O OH
Common Name
3-hydroxy valeric acid
Systematic Name
3-hydroxy-pentanoic acid
Synonyms
  • 3-ethyl hydroxy acrylic acid
LM ID
LMFA01050008
Formula
C5H10O3
Exact Mass
Calculate m/z
118.062995
Sum Composition
FA 5:0;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)
REKYPYSUBKSCAT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
SMILES (Click to copy)
C(O)(CC)CC(=O)O

References

Other Databases

HMDB ID
HMDB0000531
CHEBI ID
139272
LIPIDBANK ID
DFA0274
PubChem CID
107802

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 118.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.52
Molar Refractivity 29.06

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Created at
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Updated at
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