In-Silico Structure Database (LMISSD)

Common Name
Cer(t19:0/20:1(11Z)(2OH[R]))
Systematic Name
N-(2R-hydroxy-11Z-eicosenoyl)-4R-hydroxynonadecasphinganine
LM ID
LMSP02039AP3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
639.580174
Formula
C39H77NO5
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
KDYTXZXKPSHZTM-HFTPEWRJSA-N
InChi (Click to copy)
InChI=1S/C39H77NO5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-37(43)39(45)40-35(34-41)38(44)36(42)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,35-38,41-44H,3-16,19-34H2,1-2H3,(H,40,45)/b18-17-/t35-,36+,37+,38-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCC

References

Other Databases