Structure Database (LMSD)

NH 2 SH HS O
Common Name
Dihydrolipoamide
Systematic Name
6,8-disulfanyloctanimidic acid
Synonyms
LM ID
LMFA08010019
Formula
C8H17NOS2
Exact Mass
Calculate m/z
207.075158
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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]

String Representations

InChiKey (Click to copy)
VLYUGYAKYZETRF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)
SMILES (Click to copy)
C(CC(S)CCCCC(N)=O)S

References

Other Databases

KEGG ID
C00579
HMDB ID
HMDB0000985
CHEBI ID
17694
PubChem CID
663

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 201.13
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.22
Molar Refractivity 59.91

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Created at
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Updated at
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