Structure database (LMSD)

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LM IDLMSP03020001
Common NamePE-Cer(d14:1(4E)/18:0)
Systematic NameN-(octadecanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
SynonymsPE-Cer(d14:1/18:0)
Exact Mass
632.4893 (neutral)    Calculate m/z:
FormulaC34H69N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphoethanolamines [SP0302]
AbbrevPE-Cer 32:1;O2
Abbrev ChainsPE-Cer 14:1;O2/18:0
PubChem CID70698985
CHEBI ID73885
SWISSLIPIDS IDSLM:000398497
InChIKeyYOKFAHUWCRJFNC-DMVJVELGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C34H69N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-34(38)36-32(31-42-43(39,40)41-30-29-35)33(37)27-25-23-21-19-12-10-8-6-4-2/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
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SMILES
C(CN)OP(OC[C@]([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC)(=O)O
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StatusActive
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