Structure Database (LMSD)

Common Name
5-hydroxy valeric acid
Systematic Name
5-hydroxy-pentanoic acid
Synonyms
  • delta-hydrox yvaleric acid
LM ID
LMFA01050010
Formula
Exact Mass
Calculate m/z
118.062995
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
PHOJOSOUIAQEDH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)
SMILES (Click to copy)
C(CCO)CC(=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0276
PubChem CID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 118.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.52
Molar Refractivity 29.06

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Created at
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Updated at
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