In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019CRV |
---|---|
Common Name | SM(d20:2(4E,8E)/10:0) |
Systematic Name | N-(decanoyl)-4E,8E-eicosasphingadienine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C35H69N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | BXYBCXISFIXDGX-YTUUBAQASA-N |
InChI | InChI=1S/C35H69N2O6P/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-24-26-28-34(38)33(3 2-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-22-13-11-9-7-2/h20-21,26,28,33 -34,38H,6-19,22-25,27,29-32H2,1-5H3,(H-,36,39,40,41)/b21-20+,28-26+/t33-,34+/m0/ s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/C CCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |