Structure Database (LMSD)

Common Name
3R-aminononanoic acid
Systematic Name
3R-aminononanoic acid
Synonyms
  • Nonanoic acid, 3-amino-, (R)-
LM ID
LMFA01100019
Formula
C9H19NO2
Exact Mass
Calculate m/z
173.141579
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]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
JSJXIPXCQNHXJA-MRVPVSSYSA-N
InChi (Click to copy)
InChI=1S/C9H19NO2/c1-2-3-4-5-6-8(10)7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m1/s1
SMILES (Click to copy)
C(C[C@H](N)CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
2309
CHEBI ID
165352
PubChem CID
2195180

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 190.20
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.05
Molar Refractivity 49.50

Admin

Created at
-
Updated at
-