Structure database (LMSD)

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LM IDLMFA01030987
Common Name5-Acetamidovalerate
Systematic Name5-acetamidopentanoic acid
Synonyms-
Exact Mass
159.0895 (neutral)    Calculate m/z:
FormulaC7H13NO3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID439903
KEGG IDC03087
HMDB IDHMDB0012175
CHEBI ID2024
InChIKeyTZZSWAXSIGWXOS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C7H13NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
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SMILES
CC(NCCCCC(=O)O)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
161.75Topological Polar
Surface Area
66.40Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP0.66Molar
Refractivity
40.66