In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AGA |
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Common Name | SM(d14:1(8E)/14:0(2OH[R])) |
Systematic Name | N-(2R-hydroxytetradecanoyl)-8E-tetradecasphingenine-1-phosphocholine |
Synonyms | SM(d28:1h); SM(d14:1/14:0h) |
Exact Mass | |
Formula | C33H67N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | SWMGVAPGPTUDPV-MEWJOTGESA-N |
InChI | InChI=1S/C33H67N2O7P/c1-6-8-10-12-14-16-18-20-22-24-26-32(37)33(38)34-30(29-42-4 3(39,40)41-28-27-35(3,4)5)31(36)25-23-21-19-17-15-13-11-9-7-2/h15,17,30-32,36-37 H,6-14,16,18-29H2,1-5H3,(H-,34,38,39,40)/b17-15+/t30-,31+,32+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)CC CC/C=C/CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |