Structure Database (LMSD)

Common Name
2-dehydro-3-deoxy-D-arabinonic acid
Systematic Name
(4S)-4,5-dihydroxy-2-oxopentanoic acid
Synonyms
  • 2-Dehydro-3-deoxy-D-arabinonate
  • 2-Dehydro-3-deoxy-D-pentonate
  • 2-Dehydro-3-deoxy-D-xylonate
LM ID
LMFA01050474
Formula
C5H8O5
Exact Mass
Calculate m/z
148.037175
Sum Composition
FA 5:1;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]
Hydroxy fatty acids [FA0105]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
UQIGQRSJIKIPKZ-VKHMYHEASA-N
InChi (Click to copy)
InChI=1S/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)/t3-/m0/s1
SMILES (Click to copy)
C([C@H](O)CO)C(C(O)=O)=O

Other Databases

KEGG ID
C03826
CHEBI ID
1060
PubChem CID
5280626

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 -1.05
Molar Refractivity 31.35

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Updated at
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