Structure Database (LMSD)

Common Name
S-aminomethyldihydrolipoamide
Systematic Name
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
Synonyms
LM ID
LMFA08010025
Status
Active
Exact Mass
Calculate m/z
236.101707
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
CHEBI ID
PubChem CID

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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