In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019BVY |
---|---|
Common Name | SM(d18:0/36:0) |
Systematic Name | N-(hexatriacontanoyl)-sphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C59H121N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | ZMZUXJAZYVKPMQ-GMXNEKCESA-N |
InChI | InChI=1S/C59H121N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31- 32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-59(63)60-57(56-67-68(64,65)66-55-54 -61(3,4)5)58(62)52-50-48-46-44-42-40-19-17-15-13-11-9-7-2/h57-58,62H,6-56H2,1-5H 3,(H-,60,63,64,65)/t57-,58+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O )[C@]([H])(O)CCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |