In-Silico Structure Database (LMISSD)
Common Name
Cer(d22:0/18:0(2OH[R]))
Systematic Name
N-(2R-hydroxyoctadecanoyl)-docosasphinganine
LM ID
LMSP02029AWL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
639.616559
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]
String Representations
InChiKey (Click to copy)
PJAZBINGVYPSSX-LCKTVPPXSA-N
InChi (Click to copy)
InChI=1S/C40H81NO4/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-38(43)37(36-42)41-40(45)39(44)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h37-39,42-44H,3-36H2,1-2H3,(H,41,45)/t37-,38+,39+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCCC