In-Silico Structure Database (LMISSD)

Common Name
Cer(d15:0/24:0)
Systematic Name
N-(tetracosanoyl)-pentadecasphinganine
LM ID
LMSP02029ADY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
609.605994
Formula
C39H79NO3
Predict MS/MS spectrum ([M-H]-)
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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)
QWGFGOPDTWDNIN-QPPIDDCLSA-N
InChi (Click to copy)
InChI=1S/C39H79NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(43)40-37(36-41)38(42)34-32-30-28-26-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,40,43)/t37-,38+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCC

References

Other Databases