Structure database (LMSD)

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LM IDLMSP01080039
Common NameRhizochalinin D
Systematic Name-
Synonyms-
Exact Mass
646.5132 (neutral)    Calculate m/z:
FormulaC35H70N2O8
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608368
InChIKeyZOLNKPLWFFLILG-SWPKKLKXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C35H70N2O8/c1-26(36)29(40)23-19-15-12-11-14-18-22-28(39)21-17-13-9-7-5-
3-4-6-8-10-16-20-24-30(27(2)37)44-35-34(43)33(42)32(41)31(25-38)45-35/h26-27,29-
35,38,40-43H,3-25,36-37H2,1-2H3/t26-,27-,29-,30-,31-,32?,33?,34?,35-/m1/s1
SMILESC[C@@H](N)[C@H](O[C@@H]1O[C@H](CO)C(O)C(O)C1O)CCCCCCCCCCCCCCC(=O)CCCCCCCC[C@@H](
O)[C@H](N)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms45Rings1Aromatic Rings0Rotatable Bonds29
 van der Waals
Molecular Volume
691.38Topological Polar
Surface Area
190.79Hydrogen
Bond Donors
7Hydrogen
Bond Acceptors
8
 logP7.24Molar
Refractivity
183.62