Structure database (LMSD)

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LM IDLMSP02020019
Common NameCer(d18:0/h17:0)
Systematic NameN-(2R-hydroxyheptadecanoyl)-sphinganine
SynonymsPecipamide; N-(2-hydroxyheptadecanoyl)-sphinganine; Cer[AdS]
Exact Mass
569.5383 (neutral)    Calculate m/z:
FormulaC35H71NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID22974265
InChIKeySKUYODQAHZTUFS-LBFZIJHGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)32(31-37)36-35
(40)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H
,36,40)/t32-,33+,34+/m0/s1
SMILESC([C@H](NC([C@H](O)CCCCCCCCCCCCCCC)=O)[C@H](O)CCCCCCCCCCCCCCC)O
MS SpectraView MoNA MS spectra     
StatusActive
ReferencesPecipamide, a new sphingosine derivative
from the cultures of Polyporus picipes (Basidiomycetes).
Li Y, Ma YT, Kuang Y, Gao JM, Qin JC.
Lipids. 2010 May;45(5):457-61. Epub 2010 Apr 27
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
657.58Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP10.29Molar
Refractivity
173.68