In-Silico Structure Database (LMISSD)

OH H NH OH O OH H
Common Name
Cer(d18:0/24:0(2OH[R]))
Systematic Name
N-(2R-hydroxytetracosanoyl)-sphinganine
LM ID
LMSP02029AML
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
667.647859
Formula
C42H85NO4
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]

String Representations

InChiKey (Click to copy)
DGORBCXEWSENPF-NJZAESGASA-N
InChi (Click to copy)
InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47)/t39-,40+,41+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Other Databases