In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019BVW |
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Common Name | SM(d18:0/34:0) |
Systematic Name | N-(tetratriacontanoyl)-sphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C57H117N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | QZBXDCWYVBIKIZ-KKQLDWOFSA-N |
InChI | InChI=1S/C57H117N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31- 32-33-34-35-36-37-39-41-43-45-47-49-51-57(61)58-55(54-65-66(62,63)64-53-52-59(3, 4)5)56(60)50-48-46-44-42-40-38-19-17-15-13-11-9-7-2/h55-56,60H,6-54H2,1-5H3,(H-, 58,61,62,63)/t55-,56+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[ C@]([H])(O)CCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |