Structure database (LMSD)

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LM IDLMSP03020029
Common NamePE-Cer(d14:2(4E,6E)/16:0)
Systematic NameN-(hexadecanoyl)-4E,6E-tetradecasphingadienine-1-phosphoethanolamine
Synonyms-
Exact Mass
602.4424 (neutral)    Calculate m/z:
FormulaC32H63N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphoethanolamines [SP0302]
PubChem CID70699012
InChIKeyBIILKPXCGAIUCO-NXSGTHGASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C32H63N2O6P/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-32(36)34-30(29-40-
41(37,38)39-28-27-33)31(35)25-23-21-19-17-12-10-8-6-4-2/h19,21,23,25,30-31,35H,3
-18,20,22,24,26-29,33H2,1-2H3,(H,34,36)(H,37,38)/b21-19+,25-23+/t30-,31+/m0/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC
StatusActive
ReferencesDrosophila membrane sphingolipids
Source: Xueli Guan, Markus R Wenk
Calculated physicochemical properties (?):
 Heavy Atoms41Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
648.81Topological Polar
Surface Area
131.11Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP9.48Molar
Refractivity
173.05