Structure Database (LMSD)
Common Name
Cer(d16:1/20:0)
Systematic Name
N-(eicosanoyl)-hexadecasphing-4-enine
Synonyms
- Cer(d16:1(4E)/20:0)
- Cer[NS]
LM ID
LMSP02010047
Status
Active
Exact Mass
Calculate m/z
565.543394
Formula
Abbrev
Abbrev Chains
Cer 16:1;O2/20:0
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GOOUFNPMMZFHJF-NXCSZAMKSA-N
InChi (Click to copy)
InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
663.45
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
11.20
Molar Refractivity
176.30
Admin
Created at
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Updated at
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