Structure database (LMSD)

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LM IDLMSP02050006
Common NameCerP(d18:1/22:0)
Systematic NameN-(docosanoyl)-sphing-4-enine-1-phosphate
SynonymsC22 CerP
Exact Mass
701.5723 (neutral)    Calculate m/z:
FormulaC40H80NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID5283585
HMDB IDHMDB0010703
SWISSLIPIDS IDSLM:000395780
InChIKeyZRTZYMMYLZPKEQ-GLQCRSEXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C40H80NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-4
0(43)41-38(37-47-48(44,45)46)39(42)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,
35,38-39,42H,3-32,34,36-37H2,1-2H3,(H,41,43)(H2,44,45,46)/b35-33+/t38-,39+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCC
C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms48Rings0Aromatic Rings0Rotatable Bonds38
 van der Waals
Molecular Volume
778.85Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP13.22Molar
Refractivity
205.40