Structure database (LMSD)

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LM IDLMFA01100015
Common Name2-amino-heptanoic acid
Systematic Name2-amino-heptanoic acid
SynonymsHeptanoic acid, 2-amino-, (1)-; Heptanoic acid, 2-amino-, DL-; (1)-2-
Aminoheptanoic acid; α-DL-Aminoheptanoic acid; DL-Homonorleucine
Exact Mass
145.1103 (neutral)    Calculate m/z:
FormulaC7H15NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
LIPIDAT ID2294
PubChem CID227939
HMDB IDHMDB0094649
CHEBI ID133223
InChIKeyRDFMDVXONNIGBC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
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SMILES
C(C(N)CCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
155.60Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP1.26Molar
Refractivity
40.27