Structure Database (LMSD)

S S O NH 2
Common Name
lipoamide
Systematic Name
5-(1,2-dithiolan-3-yl)pentanamide
Synonyms
  • Lipoamide
  • Thioctamide
  • Thioctic acid amide
  • alpha-lipoic acid amide
  • lipoamide
  • vitamin N
LM ID
LMFA08010006
Formula
C8H15NOS2
Exact Mass
Calculate m/z
205.059508
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Primary amides [FA0801]
Fatty Acids and Conjugates [FA01]
Thia fatty acids [FA0113]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
FCCDDURTIIUXBY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)
SMILES (Click to copy)
C1CSSC1CCCCC(=O)N

References

Other Databases

KEGG ID
C00248
HMDB ID
HMDB0000962
CHEBI ID
17460
PubChem CID
863
Cayman ID
35336

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 188.77
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.76
Molar Refractivity 57.12

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Created at
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Updated at
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