Structure database (LMSD)

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LM IDLMSP01080019
Common NameHemsleyin imine A
Systematic Name-
Synonyms-
Exact Mass
605.5747 (neutral)    Calculate m/z:
FormulaC39H75NO3
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608355
InChIKeySVXFXYCXVLPKDZ-OFZCPIKPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C39H75NO3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38(42)37(36
-41)40-39(43)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h32,34,38,41-42H,3-3
1,33,35-36H2,1-2H3/b34-32+,40-37-
SMILESC(C)CCCCCCCCCCCCCC/C=C/C(O)/C(=N\C(=O)CCCCCCCCCCCCCCCCC)/CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms43Rings0Aromatic Rings0Rotatable Bonds34
 van der Waals
Molecular Volume
712.71Topological Polar
Surface Area
69.89Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP12.57Molar
Refractivity
190.15