Structure Database (LMSD)

Common Name
Cer(t18:0/24:0(2OH))
Systematic Name
N-(2-hydroxytetracosanoyl)-4R-hydroxysphinganine
Synonyms
  • N-(2-hydroxytetracosanoyl)-phytoceramide
  • N-(2-hydroxytetracosanoyl)-phytoceramide
  • Cer(t18:0/h24:0)
  • Cer[AP]
LM ID
LMSP02030002
Formula
C42H85NO5
Exact Mass
Calculate m/z
683.642774
Sum Composition
Cer 42:0;O4
Abbrev Chains
Cer 18:0;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)
ZFUXWVVVWGWGPQ-KGXKBISVSA-N
InChi (Click to copy)
InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40?,41-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae (#4932)
Saccharomycetes (#4891)
Thematic review series: sphingolipids. New insights into sphingolipid metabolism and function in budding yeast.,
J Lipid Res, 2008
Pubmed ID: 18296751

Other Databases

CHEBI ID
52373
PubChem CID
52931127
SwissLipids ID
SLM:000508892

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 0
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 787.47
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 12.28
Molar Refractivity 207.90

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Created at
-
Updated at
22nd Mar 2022