Structure database (LMSD)

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LM IDLMSP00000014
Common NameCer(m18:0/26:0)
Systematic NameN-(hexacosanoyl)-1-deoxysphinganine
SynonymsC26DH 1-deoxyCer
Exact Mass
663.6893 (neutral)    Calculate m/z:
FormulaC44H89NO2
CategorySphingolipids [SP]
Main ClassOther Sphingolipids [SP00]
Sub Class-
PubChem CID73242205
InChIKeySMVNPQJTRBENCZ-WZYYJWNZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C44H89NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-3
5-37-39-41-44(47)45-42(3)43(46)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2/h42-43,4
6H,4-41H2,1-3H3,(H,45,47)/t42-,43+/m0/s1
SMILES[C@](C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms47Rings0Aromatic Rings0Rotatable Bonds40
 van der Waals
Molecular Volume
795.70Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP15.29Molar
Refractivity
211.43