Structure Database (LMSD)

Common Name
5-oxo-pentanoic acid
Systematic Name
5-oxo-pentanoic acid
Synonyms
LM ID
LMFA01060161
Formula
C5H8O3
Exact Mass
Calculate m/z
116.047345
Sum Composition
FA 5:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
VBKPPDYGFUZOAJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)
SMILES (Click to copy)
C(CCCC([H])=O)(=O)O

Other Databases

LIPIDAT ID
6021
KEGG ID
C03273
HMDB ID
HMDB0012233
CHEBI ID
39153
PubChem CID
439963
SwissLipids ID
SLM:000000897

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 116.15
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 0.44
Molar Refractivity 27.55

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Created at
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Updated at
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