In-Silico Structure database (LMISSD)
| |
LM ID | LMSP02019CLD |
---|---|
Common Name | Cer(d22:1(4E)/24:0) |
Systematic Name | N-(tetracosanoyl)-4E-docosasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C46H91NO3 |
Category | Sphingolipids [SP] |
Main Class | Ceramides [SP02] |
Sub Class | N-acylsphingosines (ceramides) [SP0201] |
PubChem Compound ID (CID) | - |
InChIKey | ADQUSTYBJUQMMU-QRQQRGDGSA-N |
InChI | InChI=1S/C46H91NO3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40 -42-46(50)47-44(43-48)45(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2 /h39,41,44-45,48-49H,3-38,40,42-43H2,1-2H3,(H,47,50)/b41-39+/t44-,45+/m0/s1 |
SMILES | [C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M-H]-) |
Status | Active (generated by computational methods) |