In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AXJ |
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Common Name | SM(d15:2(4E,6E)/12:0) |
Systematic Name | N-(dodecanoyl)-4E,6E-pentadecasphingadienine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C32H63N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | NUEUBRRNIMLTIY-NXSGTHGASA-N |
InChI | InChI=1S/C32H63N2O6P/c1-6-8-10-12-14-16-18-19-21-23-25-31(35)30(29-40-41(37,38)3 9-28-27-34(3,4)5)33-32(36)26-24-22-20-17-15-13-11-9-7-2/h19,21,23,25,30-31,35H,6 -18,20,22,24,26-29H2,1-5H3,(H-,33,36,37,38)/b21-19+,25-23+/t30-,31+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CC CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |