In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019BUL |
---|---|
Common Name | GlcCer(t18:0/20:0) |
Systematic Name | N-(eicosanoyl)-1-β-glucosyl-4R-hydroxysphinganine |
Synonyms | - |
Exact Mass | |
Formula | C44H87NO9 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | AGYIXAYURVEUMV-WSHAXMGTSA-N |
InChI | InChI=1S/C44H87NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(48)45 -36(35-53-44-43(52)42(51)41(50)38(34-46)54-44)40(49)37(47)32-30-28-26-24-22-16-1 4-12-10-8-6-4-2/h36-38,40-44,46-47,49-52H,3-35H2,1-2H3,(H,45,48)/t36-,37+,38+,40 -,41+,42?,43?,44+/m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H ])(O)[C@@H](CCCCCCCCCCCCCC)O |
MS Spectra | - |
Status | Active (generated by computational methods) |