In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AL5 |
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Common Name | SM(d14:2(4E,8E)/15:0(2OH[R])) |
Systematic Name | N-(2R-hydroxypentadecanoyl)-4E,8E-tetradecasphingadienine-1-phosphocholine |
Synonyms | SM(d29:2h); SM(d14:2/15:0h) |
Exact Mass | |
Formula | C34H67N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | HPHMRHVZNKDFIG-AYDACIJZSA-N |
InChI | InChI=1S/C34H67N2O7P/c1-6-8-10-12-14-16-17-19-21-23-25-27-33(38)34(39)35-31(30-4 3-44(40,41)42-29-28-36(3,4)5)32(37)26-24-22-20-18-15-13-11-9-7-2/h15,18,24,26,31 -33,37-38H,6-14,16-17,19-23,25,27-30H2,1-5H3,(H-,35,39,40,41)/b18-15+,26-24+/t31 -,32+,33+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCCCCCC)=O)[C@]([H])(O)/ C=C/CC/C=C/CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |