Structure Database (LMSD)

NH 2 SH O S H 2 N
Common Name
S-aminomethyldihydrolipoamide
Systematic Name
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
Synonyms
LM ID
LMFA08010025
Formula
C9H20N2OS2
Exact Mass
Calculate m/z
236.101707
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)
KALYVIJGKPJBQV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)
SMILES (Click to copy)
C(CC(S)CCCCC(N)=O)SCN

References

Other Databases

HMDB ID
HMDB0006239
CHEBI ID
50622
PubChem CID
24906333

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 229.43
Topological Polar Surface Area 69.11
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 1
logP 1.94
Molar Refractivity 67.57

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Created at
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Updated at
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