In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AUL |
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Common Name | SM(d15:1(8E)/11:0) |
Systematic Name | N-(undecanoyl)-8E-pentadecasphingenine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C31H63N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | XOYFZNQAEWOVPO-SKSUETJJSA-N |
InChI | InChI=1S/C31H63N2O6P/c1-6-8-10-12-14-16-17-18-20-22-24-30(34)29(28-39-40(36,37)3 8-27-26-33(3,4)5)32-31(35)25-23-21-19-15-13-11-9-7-2/h16-17,29-30,34H,6-15,18-28 H2,1-5H3,(H-,32,35,36,37)/b17-16+/t29-,30+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCC CCC |
MS Spectra | - |
Status | Active (generated by computational methods) |