Structure Database (LMSD)

N H O OH O
Common Name
5-Acetamidovalerate
Systematic Name
5-acetamidopentanoic acid
Synonyms
LM ID
LMFA01030987
Formula
C7H13NO3
Exact Mass
Calculate m/z
159.089544
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
TZZSWAXSIGWXOS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H13NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
SMILES (Click to copy)
CC(NCCCCC(=O)O)=O

References

Other Databases

KEGG ID
C03087
HMDB ID
HMDB0012175
CHEBI ID
2024
PubChem CID
439903

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 161.75
Topological Polar Surface Area 66.40
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.66
Molar Refractivity 40.66

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Created at
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Updated at
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