Structure Database (LMSD)

Common Name
2-hydroxyglutaric acid
Systematic Name
2-oxidanylpentanedioic acid
Synonyms
  • 2-hydroxyglutaric acid
LM ID
LMFA01050483
Status
Active
Exact Mass
Calculate m/z
148.037175
Formula
C5H8O5
Abbrev
FA 5:1;O3
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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]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
HWXBTNAVRSUOJR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
SMILES (Click to copy)
OC(C(=O)O)CCC(=O)O

References

Other Databases

KEGG ID
C02630
HMDB ID
HMDB0059655
CHEBI ID
17084
PubChem CID
43
Cayman ID
25894

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 133.73
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP -0.42
Molar Refractivity 31.02

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Updated at
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