In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029ABP |
---|---|
Common Name | PE-Cer(d14:0/20:1(13E)) |
Systematic Name | N-(13E-eicosenoyl)-tetradecasphinganine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C36H73N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | FQCWLMKCNVJGER-LHVSDCBQSA-N |
InChI | InChI=1S/C36H73N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-36(40) 38-34(33-44-45(41,42)43-32-31-37)35(39)29-27-25-23-21-12-10-8-6-4-2/h13-14,34-35 ,39H,3-12,15-33,37H2,1-2H3,(H,38,40)(H,41,42)/b14-13+/t34-,35+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCC/C=C/CCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |