In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02039AIG |
---|---|
Common Name | Cer(t16:0/26:0) |
Systematic Name | N-(hexacosanoyl)-4R-hydroxyhexadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C42H85NO4 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] |
PubChem Compound ID (CID) | - |
InChIKey | NKEXRDLHHMGDSB-LFVSMIGWSA-N |
InChI | InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31 -33-35-37-41(46)43-39(38-44)42(47)40(45)36-34-32-30-28-14-12-10-8-6-4-2/h39-40,4 2,44-45,47H,3-38H2,1-2H3,(H,43,46)/t39-,40+,42-/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |