In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019B1X |
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Common Name | SM(d18:2(4E,14Z)/11:0) |
Systematic Name | N-(undecanoyl)-4E,14Z-sphingadienine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C34H67N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | LXBRKVATNNLQLW-IIYKYBBVSA-N |
InChI | InChI=1S/C34H67N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-33(37)32(31-42-4 3(39,40)41-30-29-36(3,4)5)35-34(38)28-26-24-22-15-13-11-9-7-2/h10,12,25,27,32-33 ,37H,6-9,11,13-24,26,28-31H2,1-5H3,(H-,35,38,39,40)/b12-10-,27-25+/t32-,33+/m0/s 1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCC C/C=C\CCC |
MS Spectra | - |
Status | Active (generated by computational methods) |