Structure database (LMSD)

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LM IDLMFA08010019
Common NameDihydrolipoamide
Systematic Name6,8-disulfanyloctanimidic acid
Synonyms-
Exact Mass
207.0752 (neutral)    Calculate m/z:
FormulaC8H17NOS2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassPrimary amides [FA0801]
Alternative ClassesThia fatty acids[FA0113]
PubChem CID663
KEGG IDC00579
HMDB IDHMDB0000985
CHEBI ID17694
InChIKeyVLYUGYAKYZETRF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)
SMILESC(CC(S)CCCCC(N)=O)S
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
201.13Topological Polar
Surface Area
43.09Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP2.22Molar
Refractivity
59.91