Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01060168
Common Name-
Systematic Name7-oxo-8-amino-nonanoic acid
Synonyms8-Amino-7-oxononanoic acid; 8-Amino-7-oxononanoate
Exact Mass
187.1208 (neutral)    Calculate m/z:
FormulaC9H17NO3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
PubChem Compound ID (CID)173
METABOLOMICS ID-
KEGG IDC01092
HMDB ID-
YMDB ID-
CHEBI ID15830
InChIKeyGUAHPAJOXVYFON-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)
SMILESCC(N)C(=O)CCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
196.35Topological Polar
Surface Area
80.39Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.22Molar
Refractivity
49.89    
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