Structure Database (LMSD)

OH H NH OH O OH H
Common Name
Cer(d20:0/20:0(2OH))
Systematic Name
N-(2-hydroxyeicosanoyl)-eicosasphinganine
Synonyms
  • Cer[AdS]
LM ID
LMSP02020037
Formula
C40H81NO4
Exact Mass
Calculate m/z
639.616559
Sum Composition
Cer 40:0;O3
Abbrev Chains
Cer 20:0;O2/20:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]

String Representations

InChiKey (Click to copy)
TVKDESSYJODXKJ-BFNXHEPRSA-N
InChi (Click to copy)
InChI=1S/C40H81NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-39,42-44H,3-36H2,1-2H3,(H,41,45)/t37-,38+,39?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCC

References

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
Pubmed ID: 16652392

Other Databases

CHEBI ID
66999
PubChem CID
70678784
SwissLipids ID
SLM:000508898

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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Created at
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Updated at
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