Structure Database (LMSD)

Common Name
S-(2-Methylpropionyl)-dihydrolipoamide-E
Systematic Name
8-[(2-methylpropanoyl)sulfanyl]-6-sulfanyloctanamide
Synonyms
LM ID
LMFA08010022
Status
Active
Exact Mass
Calculate m/z
277.117023
Formula


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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)
UEFURMXXHJCLJP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H23NO2S2/c1-9(2)12(15)17-8-7-10(16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)
SMILES (Click to copy)
C(CCCC(CCSC(C(C)C)=O)S)C(N)=O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 276.48
Topological Polar Surface Area 60.16
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.21
Molar Refractivity 78.36

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Created at
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Updated at
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