Structure Database (LMSD)
Common Name
Cer(d18:1/32:0)
Systematic Name
N-(dotriacontanoyl)-sphing-4-enine
Synonyms
- Cer[NS]
LM ID
LMSP02010127
Formula
Exact Mass
Calculate m/z
761.762494
Sum Composition
Abbrev Chains
Cer 18:1;O2/32:0
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cer(d18:1/32:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
MUQBXENBHQWWAY-SDOSYGGKSA-N
InChi (Click to copy)
InChI=1S/C50H99NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-50(54)51-48(47-52)49(53)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h43,45,48-49,52-53H,3-42,44,46-47H2,1-2H3,(H,51,54)/b45-43+/t48-,49+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
54
Rings
0
Aromatic Rings
0
Rotatable Bonds
46
Van der Waals Molecular Volume
905.65
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
16.66
Molar Refractivity
240.94
Reactions
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Admin
Created at
27th Apr 2020
Updated at
27th Apr 2020