Structure Database (LMSD)
Common Name
Cer(t20:0/20:0)
Systematic Name
N-(eicosanoyl)-4R-hydroxy-eicosasphinganine
Synonyms
- N-(eicosanoyl)-4-hydroxyeicosasphinganine
- Cer[NP]
LM ID
LMSP02030011
Status
Active
Exact Mass
Calculate m/z
639.616559
Formula
Abbrev
Abbrev Chains
Cer 20:0;O3/20:0
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ULHTVNDKYCKBOY-HIERITDVSA-N
InChi (Click to copy)
InChI=1S/C40H81NO4/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h37-38,40,42-43,45H,3-36H2,1-2H3,(H,41,44)/t37-,38+,40-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC
References
Reference
Mass spectrometry-based profiling of phospholipids and sphingolipids in extracts from Saccharomyces cerevisiae
Xue Li Guan, Markus R. Wenk
Yeast,23(6), 465-477, (2006)
Xue Li Guan, Markus R. Wenk
Yeast,23(6), 465-477, (2006)
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae
(#4932)
Saccharomycetes
(#4891)
Mass spectrometry-based profiling of phospholipids and sphingolipids in extracts from Saccharomyces cerevisiae.,
Yeast, 2006
Yeast, 2006
Pubmed ID:
16652392
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
0
Aromatic Rings
0
Rotatable Bonds
37
Van der Waals Molecular Volume
744.08
Topological Polar Surface Area
89.79
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
12.24
Molar Refractivity
196.77
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