Structure Database (LMSD)

OH O NH 2
Common Name
4S-aminopentanoic acid
Systematic Name
4S-aminopentanoic acid
Synonyms
  • Pentanoic acid, 4-amino-, (S)-
  • (S)-4-Aminopentanoic acid
  • (S)-4-Aminovaleric acid
LM ID
LMFA01100022
Formula
C5H11NO2
Exact Mass
Calculate m/z
117.078979
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)
ABSTXSZPGHDTAF-BYPYZUCNSA-N
InChi (Click to copy)
InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
SMILES (Click to copy)
C(CC[C@@H](N)C)(=O)O

References

Other Databases

LIPIDAT ID
2326
CHEBI ID
178407
PubChem CID
5312968
PDB ID
0W6

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 121.00
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 0.48
Molar Refractivity 31.03

Admin

Created at
-
Updated at
-