In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019DHI |
---|---|
Common Name | GalCer(d14:0/38:0) |
Systematic Name | N-(octatriacontanoyl)-1-β-galactosyl-tetradecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C58H115NO8 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | QLMCOMILAZXTIJ-XSBFYANQSA-N |
InChI | InChI=1S/C58H115NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-2 8-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-54(62)59-51(52(61)47-45-43-41-39- 12-10-8-6-4-2)50-66-58-57(65)56(64)55(63)53(49-60)67-58/h51-53,55-58,60-61,63-65 H,3-50H2,1-2H3,(H,59,62)/t51-,52+,53+,55-,56?,57?,58+/m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |