In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AFD |
---|---|
Common Name | SM(d14:1(4E)/24:0) |
Systematic Name | N-(tetracosanoyl)-4E-tetradecasphingenine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C43H87N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | XEJKSGIGYKZCAF-SVLGDMRNSA-N |
InChI | InChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-29-31-3 3-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-15-13- 11-9-7-2/h34,36,41-42,46H,6-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b36-34+/t41-,42 +/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O )/C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |