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
Status
Active
Exact Mass
Calculate m/z
683.642774
Formula
Abbrev
Abbrev Chains
Cer 18:0;O3/24:0;O



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
PubChem CID
SwissLipids ID

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