Structure Database (LMSD)

OH O H NH OH OH H OH
Common Name
Cer(t20:0/24:0(2OH))
Systematic Name
N-(2-hydroxytetracosanoyl)-4R-hydroxyeicosasphinganine
Synonyms
  • N-(2-hydroxytetracosanoyl)-hydroxyeicosasphinganine
  • Cer[AP]
LM ID
LMSP02030023
Formula
C44H89NO5
Exact Mass
Calculate m/z
711.674074
Sum Composition
Cer 44:0;O4
Abbrev Chains
Cer 20:0;O3/24:0;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)
INIZVBFJIBJZHK-YIWOKQJZSA-N
InChi (Click to copy)
InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41+,42?,43-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=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
66992
PubChem CID
70678890
SwissLipids ID
SLM:000508908

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 0
Aromatic Rings 0
Rotatable Bonds 41
Van der Waals Molecular Volume 822.07
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 5
logP 13.06
Molar Refractivity 217.13

Admin

Created at
-
Updated at
-