Structure Database (LMSD)
Common Name
Cer(t20:0/16:0)
Systematic Name
N-(hexadecanoyl)-4R-hydroxy-eicosasphinganine
Synonyms
- N-(palmitoyl)-4-hydroxyeicosasphinganine
- Cer[NP]
LM ID
LMSP02030009
Formula
Exact Mass
Calculate m/z
583.553959
Sum Composition
Abbrev Chains
Cer 20:0;O3/16:0
Status
Active
3D model of Cer(t20:0/16:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
PDRMZAIPYFJROJ-LFBNJJMOSA-N
InChi (Click to copy)
InChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-34(39)36(41)33(32-38)37-35(40)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h33-34,36,38-39,41H,3-32H2,1-2H3,(H,37,40)/t33-,34+,36-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
0
Aromatic Rings
0
Rotatable Bonds
33
Van der Waals Molecular Volume
674.88
Topological Polar Surface Area
89.79
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
10.68
Molar Refractivity
178.30
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Created at
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Updated at
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