Structure Database (LMSD)

OH H NH OH O OH H
Common Name
Cer(d20:0/16:0(2OH))
Systematic Name
N-(2-hydroxyhexadecanoyl)-eicosasphinganine
Synonyms
  • Cer[AdS]
LM ID
LMSP02020035
Formula
C36H73NO4
Exact Mass
Calculate m/z
583.553959
Sum Composition
Cer 36:0;O3
Abbrev Chains
Cer 20:0;O2/16:0;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)
RRAZIZSGJDNXLF-GWDKEWMYSA-N
InChi (Click to copy)
InChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-34(39)33(32-38)37-36(41)35(40)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h33-35,38-40H,3-32H2,1-2H3,(H,37,41)/t33-,34+,35?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCC)=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
67018
PubChem CID
70678842
SwissLipids ID
SLM:000508896

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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