Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02050014
Common NameCerP(d18:1/2:0)
Systematic NameN-(acetyl)-sphing-4-enine-1-phosphate
SynonymsC2-ceramide 1-phosphate
Exact Mass
421.2593 (neutral)    Calculate m/z:
FormulaC20H40NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID15199918
CHEBI ID46981
SWISSLIPIDS IDSLM:000395777
InChIKeyHWPZKJVGDYNEAW-QUDYQQOWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H40NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(21-18(2)22)17
-27-28(24,25)26/h15-16,19-20,23H,3-14,17H2,1-2H3,(H,21,22)(H2,24,25,26)/b16-15+/
t19-,20+/m0/s1
SMILESC(/[C@H]([C@H](COP(O)(O)=O)NC(=O)C)O)=C\CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
432.85Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP5.42Molar
Refractivity
113.07