Structure Database (LMSD)

HO OH O OH
Common Name
2,4-dihydroxy-butanoic acid
Systematic Name
2,4-dihydroxy-butanoic acid
Synonyms
LM ID
LMFA01050385
Formula
C4H8O4
Exact Mass
Calculate m/z
120.04226
Sum Composition
FA 4:0;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]

String Representations

InChiKey (Click to copy)
UFYGCFHQAXXBCF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
SMILES (Click to copy)
C(=O)(O)C(O)CCO

References

Other Databases

HMDB ID
HMDB0000360
CHEBI ID
86348
PubChem CID
192742

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 110.28
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP -0.61
Molar Refractivity 26.35

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Created at
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Updated at
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