In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019ADC |
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Common Name | SM(d14:1(4E)/13:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydodecanoyl)-4E-tetradecasphingenine-1-phosphocholine |
Synonyms | SM(d27:1h); SM(d14:1/13:0h) |
Exact Mass | |
Formula | C32H65N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | JFBITZJZZOAEDT-GKHBWUJYSA-N |
InChI | InChI=1S/C32H65N2O7P/c1-6-8-10-12-14-16-18-20-22-24-30(35)29(28-41-42(38,39)40-2 7-26-34(3,4)5)33-32(37)31(36)25-23-21-19-17-15-13-11-9-7-2/h22,24,29-31,35-36H,6 -21,23,25-28H2,1-5H3,(H-,33,37,38,39)/b24-22+/t29-,30+,31+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCCCC)=O)[C@]([H])(O)/C= C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |