Structure Database (LMSD)

Common Name
(S)-4-hydroxy-2-oxopentanoic acid
Systematic Name
(4S)-4-hydroxy-2-oxopentanoic acid
Synonyms
  • (4S)-4-hydroxy-2-ketovaleric acid
  • (4S)-4-hydroxy-2-oxovaleric acid
  • (S)-4-hydroxy-2-ketopentanoic acid
LM ID
LMFA01050466
Formula
C5H8O4
Exact Mass
Calculate m/z
132.04226
Sum Composition
FA 5:1;O2
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]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
HFKQINMYQUXOCH-VKHMYHEASA-N
InChi (Click to copy)
InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)/t3-/m0/s1
SMILES (Click to copy)
C[C@H](O)CC(=O)C(=O)O

References

Other Databases

CHEBI ID
73148
PubChem CID
25202225

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 124.94
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP -0.30
Molar Refractivity 29.45

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Updated at
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