In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019BEY |
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Common Name | SM(d16:2(4E,8E)/14:0(2OH[R])) |
Systematic Name | N-(2R-hydroxytetradecanoyl)-4E,8E-hexadecasphingadienine-1-phosphocholine |
Synonyms | SM(d30:2h); SM(d16:2/14:0h) |
Exact Mass | |
Formula | C35H69N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | WMRKKCNXQGZMJA-AJDOBXGTSA-N |
InChI | InChI=1S/C35H69N2O7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-33(38)32(31-44-45(41,4 2)43-30-29-37(3,4)5)36-35(40)34(39)28-26-24-22-19-17-15-13-11-9-7-2/h18,20,25,27 ,32-34,38-39H,6-17,19,21-24,26,28-31H2,1-5H3,(H-,36,40,41,42)/b20-18+,27-25+/t32 -,33+,34+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)/C =C/CC/C=C/CCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |