Structure Database (LMSD)

Common Name
2S-amino-hexanoic acid
Systematic Name
2S-amino-hexanoic acid
Synonyms
  • (S)-2-Aminohexanoic acid
LM ID
LMFA01100042
Formula
C6H13NO2
Exact Mass
Calculate m/z
131.094629
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
LRQKBLKVPFOOQJ-YFKPBYRVSA-N
InChi (Click to copy)
InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
SMILES (Click to copy)
[C@H](N)(CCCC)C(=O)O

Other Databases

Wikipedia
Aminocaproic_acid
KEGG ID
C01933
HMDB ID
HMDB0001645
CHEBI ID
58455
PubChem CID
21236
PDB ID
NLE

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 138.30
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 0.87
Molar Refractivity 35.65

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Created at
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Updated at
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