In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019BYZ |
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Common Name | SM(d18:1(8E)/10:0) |
Systematic Name | N-(decanoyl)-8E-sphingenine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C33H67N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | LMESKPMRSHXIFO-ARYHZBOQSA-N |
InChI | InChI=1S/C33H67N2O6P/c1-6-8-10-12-14-15-16-17-18-19-21-22-24-26-32(36)31(30-41-4 2(38,39)40-29-28-35(3,4)5)34-33(37)27-25-23-20-13-11-9-7-2/h18-19,31-32,36H,6-17 ,20-30H2,1-5H3,(H-,34,37,38,39)/b19-18+/t31-,32+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCC CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |