Structure database (LMSD)

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LM IDLMFA01100012
Common Name9-amino-decanoic acid
Systematic Name9-amino-decanoic acid
SynonymsDecanoic acid, 9-amino-, (1)-
Exact Mass
187.1572 (neutral)    Calculate m/z:
FormulaC10H21NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
LIPIDAT ID2289
PubChem CID5312963
CHEBI ID137770
InChIKeyFWPKWVUFQDXPBW-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H21NO2/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
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SMILES
C(CCCCCCCC(N)C)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
207.50Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP2.44Molar
Refractivity
54.12