Structure database (LMSD)

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LM IDLMFA08010025
Common NameS-aminomethyldihydrolipoamide
Systematic Name8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
Synonyms-
Exact Mass
236.1017 (neutral)    Calculate m/z:
FormulaC9H20N2OS2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassPrimary amides [FA0801]
Alternative ClassesThia fatty acids[FA0113]
PubChem CID24906333
HMDB IDHMDB0006239
CHEBI ID50622
InChIKeyKALYVIJGKPJBQV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)
SMILESC(CC(S)CCCCC(N)=O)SCN
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
229.43Topological Polar
Surface Area
69.11Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
1
 logP1.94Molar
Refractivity
67.57