In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AA9 |
---|---|
Common Name | SM(d14:0/18:2(6Z,9Z)) |
Systematic Name | N-(6Z,9Z-octadecadienoyl)-tetradecasphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C37H73N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | NXTUSKBDFCROIB-AOTRYTQCSA-N |
InChI | InChI=1S/C37H73N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-37(41)38-3 5(34-45-46(42,43)44-33-32-39(3,4)5)36(40)30-28-26-24-22-15-13-11-9-7-2/h18-19,21 ,23,35-36,40H,6-17,20,22,24-34H2,1-5H3,(H-,38,41,42,43)/b19-18-,23-21-/t35-,36+/ m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCC/C=C\C/C=C\CCCCCCCC)=O)[C@]([H])(O )CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |