Structure database (LMSD)

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LM IDLMSP03020019
Common NamePE-Cer(d16:1(4E)/16:0)
Systematic NameN-(hexadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine
SynonymsPE-Cer(d16:1/16:0)
Exact Mass
632.4893 (neutral)    Calculate m/z:
FormulaC34H69N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphoethanolamines [SP0302]
PubChem CID70699002
SWISSLIPIDS IDSLM:000398653
InChIKeyJZKOBDFEMZTGGK-DMVJVELGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H69N2O6P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-34(38)36-32(31-42-
43(39,40)41-30-29-35)33(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h25,27,32-33,37H,3
-24,26,28-31,35H2,1-2H3,(H,36,38)(H,39,40)/b27-25+/t32-,33+/m0/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC
StatusActive
ReferencesDrosophila membrane sphingolipids
Source: Xueli Guan, Markus R Wenk
Calculated physicochemical properties (?):
 Heavy Atoms43Rings0Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
686.05Topological Polar
Surface Area
131.11Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP10.48Molar
Refractivity
182.37