Structure database (LMSD)

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LM IDLMSP03020028
Common NamePE-Cer(d16:1(4E)/24:1(15Z))
Systematic NameN-(15Z-tetracosenoyl)-hexadecasphing-4-enine-1-phosphoethanolamine
SynonymsPE-Cer(d16:1/24:1(15Z))
Exact Mass
742.5989 (neutral)    Calculate m/z:
FormulaC42H83N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphoethanolamines [SP0302]
PubChem CID70699011
SWISSLIPIDS IDSLM:000398607
InChIKeyOWLFZZDSKIGRMW-GXCULFSQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C42H83N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-
34-36-42(46)44-40(39-50-51(47,48)49-38-37-43)41(45)35-33-31-29-27-25-14-12-10-8-
6-4-2/h16-17,33,35,40-41,45H,3-15,18-32,34,36-39,43H2,1-2H3,(H,44,46)(H,47,48)/b
17-16-,35-33+/t40-,41+/m0/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCC
CCCCCCC
StatusActive
ReferencesDrosophila membrane sphingolipids
Source: Xueli Guan, Markus R Wenk
Calculated physicochemical properties (?):
 Heavy Atoms51Rings0Aromatic Rings0Rotatable Bonds40
 van der Waals
Molecular Volume
821.81Topological Polar
Surface Area
131.11Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP13.38Molar
Refractivity
219.22