In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019BHV |
---|---|
Common Name | SM(d17:0/14:0) |
Systematic Name | N-(tetradecanoyl)-heptadecasphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C36H75N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | AYLZRXGURNYKPU-OIDHKYIRSA-N |
InChI | InChI=1S/C36H75N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-35(39)34(33-44-45(4 1,42)43-32-31-38(3,4)5)37-36(40)30-28-26-24-22-19-17-15-13-11-9-7-2/h34-35,39H,6 -33H2,1-5H3,(H-,37,40,41,42)/t34-,35+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCC CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |