Structure database (LMSD)

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LM IDLMSP02050005
Common NameCerP(d18:1/20:0)
Systematic NameN-(eicosanoyl)-sphing-4-enine-1-phosphate
SynonymsC20 CerP
Exact Mass
673.5410 (neutral)    Calculate m/z:
FormulaC38H76NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID5283584
HMDB IDHMDB0010702
SWISSLIPIDS IDSLM:000395782
InChIKeyQDXTYNOQCQVNET-NUKVNZTCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C38H76NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(41)3
9-36(35-45-46(42,43)44)37(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-
37,40H,3-30,32,34-35H2,1-2H3,(H,39,41)(H2,42,43,44)/b33-31+/t36-,37+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms46Rings0Aromatic Rings0Rotatable Bonds36
 van der Waals
Molecular Volume
744.25Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP12.44Molar
Refractivity
196.17