Structure Database (LMSD)

OH H NH OH OH H OH O
Common Name
Cer(t20:0/26:0(2OH))
Systematic Name
N-(2-hydroxyhexacosanoyl)-4R-hydroxyeicosasphinganine
Synonyms
  • N-(2-hydroxyhexacosanoyl)-hydroxyeicosasphinganine
  • Cer[AP]
LM ID
LMSP02030024
Formula
C46H93NO5
Exact Mass
Calculate m/z
739.705374
Sum Composition
Cer 46:0;O4
Abbrev Chains
Cer 20:0;O3/26:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

String Representations

InChiKey (Click to copy)
CUUCRKRHESTOAG-NKRIFVGSSA-N
InChi (Click to copy)
InChI=1S/C46H93NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(50)46(52)47-42(41-48)45(51)43(49)39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h42-45,48-51H,3-41H2,1-2H3,(H,47,52)/t42-,43+,44?,45-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC

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
66996
PubChem CID
70678829
SwissLipids ID
SLM:000000977

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 0
Aromatic Rings 0
Rotatable Bonds 43
Van der Waals Molecular Volume 856.67
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 5
logP 13.84
Molar Refractivity 226.37

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Created at
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Updated at
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