Structure Database (LMSD)

Common Name
3S-aminodecanoic acid
Systematic Name
3S-aminodecanoic acid
Synonyms
  • Decanoic acid, 3-amino-, (S)-
LM ID
LMFA01100011
Formula
C10H21NO2
Exact Mass
Calculate m/z
187.157229
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
SSKFRIVYCVHCQK-VIFPVBQESA-N
InChi (Click to copy)
InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)/t9-/m0/s1
SMILES (Click to copy)
C(C[C@@H](N)CCCCCCC)(=O)O

Other Databases

LIPIDAT ID
2288
CHEBI ID
183585
PubChem CID
5312962

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 207.50
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.44
Molar Refractivity 54.12

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Created at
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Updated at
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