In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019DAF |
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Common Name | SM(d22:1(4E)/19:0) |
Systematic Name | N-(nonadecanoyl)-4E-docosasphingenine-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 | UQSPLTCMDKTLMD-NMIJJABPSA-N |
InChI | InChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-45(4 9)44(43-54-55(51,52)53-42-41-48(3,4)5)47-46(50)40-38-36-34-32-30-28-26-23-21-19- 17-15-13-11-9-7-2/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(CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C /CCCCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |