In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02029AVA |
---|---|
Common Name | Cer(d21:0/24:0) |
Systematic Name | N-(tetracosanoyl)-heneicosasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C45H91NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphinganines (dihydroceramides) [SP0202] |
PubChem Compound ID (CID) | - |
InChIKey | XTPDDXZLFXOICA-JCGOJSMZSA-N |
InChI | InChI=1S/C45H91NO3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39 -41-45(49)46-43(42-47)44(48)40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h4 3-44,47-48H,3-42H2,1-2H3,(H,46,49)/t43-,44+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |