Structure Database (LMSD)

Common Name
Malonic acid
Systematic Name
Propanedioic acid
Synonyms
LM ID
LMFA01170041
Status
Active
Exact Mass
Calculate m/z
104.01096
Formula
C3H4O4
Abbrev
FA 3:1;O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]

String Representations

InChiKey (Click to copy)
OFOBLEOULBTSOW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
SMILES (Click to copy)
C(CC(=O)O)(=O)O

References

Other Databases

Wikipedia
propanedioic_acid
LIPIDAT ID
8333
KEGG ID
C00383
HMDB ID
HMDB0000691
CHEBI ID
30794
PubChem CID
867
PlantFA ID
10236
SwissLipids ID
SLM:000000866

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 90.34
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP -0.45
Molar Refractivity 19.89

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Updated at
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