Structure Database (LMSD)

Common Name
2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
Systematic Name
2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
Synonyms
LM ID
LMFA01050481
Formula
Exact Mass
Calculate m/z
220.02192
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
RQMCNDRMPZBEOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)
SMILES (Click to copy)
C(C(=O)O)C(O)(C(O)=O)CC(=O)C(=O)O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 189.42
Topological Polar Surface Area 149.20
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP -1.39
Molar Refractivity 42.61

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Created at
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Updated at
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