Structure Database (LMSD)

Common Name
2-hydroxy-2-butenedioic acid
Systematic Name
2-hydroxy-2-butenedioic acid
Synonyms
  • 2-Hydroxybut-2-enedioic acid
LM ID
LMFA01170061
Formula
C4H4O5
Exact Mass
Calculate m/z
132.005875
Sum Composition
FA 4:2;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
UWYVPFMHMJIBHE-UPHRSURJSA-N
InChi (Click to copy)
InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-
SMILES (Click to copy)
C(/O)(\C(=O)O)=C/C(=O)O

Other Databases

KEGG ID
C03981
CHEBI ID
28394
PubChem CID
54675764
PDB ID
Y3P

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 113.79
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP -0.40
Molar Refractivity 25.98

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Updated at
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