Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02050010
Common NameCerP(d18:1/26:0)
Systematic NameN-(hexacosanoyl)-sphing-4-enine-1-phosphate
SynonymsC26 CerP
Exact Mass
757.6349 (neutral)    Calculate m/z:
FormulaC44H88NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID16061331
HMDB IDHMDB10706
InChIKeyMGCPUMGEWRJETA-GVOPMEMSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C44H88NO6P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-3
8-40-44(47)45-42(41-51-52(48,49)50)43(46)39-37-35-33-31-29-27-25-18-16-14-12-10-
8-6-4-2/h37,39,42-43,46H,3-36,38,40-41H2,1-2H3,(H,45,47)(H2,48,49,50)/b39-37+/t4
2-,43+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC
CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms52Rings0Aromatic Rings0Rotatable Bonds42
 van der Waals
Molecular Volume
848.05Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP14.78Molar
Refractivity
223.87