In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AFP |
---|---|
Common Name | SM(d14:1(4E)/27:0) |
Systematic Name | N-(heptacosanoyl)-4E-tetradecasphingenine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C46H93N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | FRHHYMDJAIMVLJ-NMIJJABPSA-N |
InChI | InChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-3 0-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33- 31-15-13-11-9-7-2/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b39-37 +/t44-,45+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H] )(O)/C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |