In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019ALW |
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Common Name | SM(d14:2(4E,8E)/11:0(2OH[R])) |
Systematic Name | N-(2R-hydroxyundecanoyl)-4E,8E-tetradecasphingadienine-1-phosphocholine |
Synonyms | SM(d25:2h); SM(d14:2/11:0h) |
Exact Mass | |
Formula | C30H59N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | QCHANTABHWEFND-HRQQAMSBSA-N |
InChI | InChI=1S/C30H59N2O7P/c1-6-8-10-12-14-15-17-18-20-22-28(33)27(26-39-40(36,37)38-2 5-24-32(3,4)5)31-30(35)29(34)23-21-19-16-13-11-9-7-2/h14-15,20,22,27-29,33-34H,6 -13,16-19,21,23-26H2,1-5H3,(H-,31,35,36,37)/b15-14+,22-20+/t27-,28+,29+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCC)=O)[C@]([H])(O)/C=C/ CC/C=C/CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |