Structure database (LMSD)

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LM IDLMSP02050004
Common NameCerP(d18:1/18:0)
Systematic NameN-(octadecanoyl)-sphing-4-enine-1-phosphate
SynonymsC18 CerP
Exact Mass
645.5097 (neutral)    Calculate m/z:
FormulaC36H72NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID5283583
HMDB IDHMDB0010701
SWISSLIPIDS IDSLM:000395789
InChIKeyZQQLMECVOXKFJK-NXCSZAMKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H72NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(39)37-34(3
3-43-44(40,41)42)35(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38H
,3-28,30,32-33H2,1-2H3,(H,37,39)(H2,40,41,42)/b31-29+/t34-,35+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms44Rings0Aromatic Rings0Rotatable Bonds34
 van der Waals
Molecular Volume
709.65Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP11.66Molar
Refractivity
186.94