In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019ARU |
---|---|
Common Name | SM(d15:1(4E)/14:0(2OH[R])) |
Systematic Name | N-(2R-hydroxytetradecanoyl)-4E-pentadecasphingenine-1-phosphocholine |
Synonyms | SM(d29:1h); SM(d15:1/14:0h) |
Exact Mass | |
Formula | C34H69N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | QUALJUMHADCFAQ-OMOXWLCNSA-N |
InChI | InChI=1S/C34H69N2O7P/c1-6-8-10-12-14-16-18-20-22-24-26-32(37)31(30-43-44(40,41)4 2-29-28-36(3,4)5)35-34(39)33(38)27-25-23-21-19-17-15-13-11-9-7-2/h24,26,31-33,37 -38H,6-23,25,27-30H2,1-5H3,(H-,35,39,40,41)/b26-24+/t31-,32+,33+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)/C =C/CCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |