Structure Database (LMSD)

OH H NH OH O OH H
Common Name
Cer(d20:0/18:0(2OH))
Systematic Name
N-(2-hydroxyoctadecanoyl)-eicosasphinganine
Synonyms
  • Cer[AdS]
LM ID
LMSP02020036
Formula
C38H77NO4
Exact Mass
Calculate m/z
611.585259
Sum Composition
Cer 38:0;O3
Abbrev Chains
Cer 20:0;O2/18:0;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)
DIZADSMWNSTHGP-IFXQGTRDSA-N
InChi (Click to copy)
InChI=1S/C38H77NO4/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-36(41)35(34-40)39-38(43)37(42)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h35-37,40-42H,3-34H2,1-2H3,(H,39,43)/t35-,36+,37?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCC)=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
67005
PubChem CID
70678814
SwissLipids ID
SLM:000508897

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 709.48
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 11.46
Molar Refractivity 187.53

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Created at
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Updated at
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