In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AIE |
---|---|
Common Name | Cer(t16:0/25:0) |
Systematic Name | N-(pentacosanoyl)-4R-hydroxyhexadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C41H83NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | DXTUPECWMAQGSF-CUVPNIRJSA-N |
InChI | InChI=1S/C41H83NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32 -34-36-40(45)42-38(37-43)41(46)39(44)35-33-31-29-27-14-12-10-8-6-4-2/h38-39,41,4 3-44,46H,3-37H2,1-2H3,(H,42,45)/t38-,39+,41-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |