In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019AAT |
---|---|
Common Name | GlcCer(d14:0/18:1(4E)) |
Systematic Name | N-(4E-octadecenoyl)-1-β-glucosyl-tetradecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C38H73NO8 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | GSEVTRHZMPPUPX-XNOUUQBWSA-N |
InChI | InChI=1S/C38H73NO8/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-34(42)39-31(32 (41)27-25-23-21-19-12-10-8-6-4-2)30-46-38-37(45)36(44)35(43)33(29-40)47-38/h22,2 4,31-33,35-38,40-41,43-45H,3-21,23,25-30H2,1-2H3,(H,39,42)/b24-22+/t31-,32+,33+, 35+,36?,37?,38+/m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CC/C=C/CCCCCCCCCCCCC)=O)[C@]([ H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |