Structure database (LMSD)

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LM IDLMSP01080016
Common NameAplidiasphingosine
Systematic Name2S-amino-5,9,13,17-tetramethyl-8E,16-octadecadiene-1,3R,14-triol
Synonyms-
Exact Mass
369.3243 (neutral)    Calculate m/z:
FormulaC22H43NO3
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608352
InChIKeyASNURABVVXFZSH-CGWCWHFRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H43NO3/c1-16(2)12-13-21(25)19(5)11-7-9-17(3)8-6-10-18(4)14-22(26)20(
23)15-24/h8,12,18-22,24-26H,6-7,9-11,13-15,23H2,1-5H3/b17-8+/t18?,19?,20-,21?,22
+/m0/s1
SMILESC([C@H](N)[C@H](O)CC(C)CC/C=C(\C)/CCCC(C)C(O)C/C=C(\C)/C)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
421.25Topological Polar
Surface Area
86.71Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
3
 logP5.09Molar
Refractivity
112.94