Structure database (LMSD)

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LM IDLMSP02050008
Common NameCerP(d18:1/24:0)
Systematic NameN-(tetracosanoyl)-sphing-4-enine-1-phosphate
SynonymsC24 CerP
Exact Mass
729.6036 (neutral)    Calculate m/z:
FormulaC42H84NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem CID5283587
HMDB IDHMDB0010704
SWISSLIPIDS IDSLM:000395793
InChIKeySEEJZRCEDNOVGA-AUTSUKAISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C42H84NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-3
6-38-42(45)43-40(39-49-50(46,47)48)41(44)37-35-33-31-29-27-25-16-14-12-10-8-6-4-
2/h35,37,40-41,44H,3-34,36,38-39H2,1-2H3,(H,43,45)(H2,46,47,48)/b37-35+/t40-,41+
/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC
CCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms50Rings0Aromatic Rings0Rotatable Bonds40
 van der Waals
Molecular Volume
813.45Topological Polar
Surface Area
116.09Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP14.00Molar
Refractivity
214.64