In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019AAI |
---|---|
Common Name | GlcCer(d14:0/16:0) |
Systematic Name | N-(hexadecanoyl)-1-β-glucosyl-tetradecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C36H71NO8 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | ZMLSINXHRXTYKP-JWWROMFVSA-N |
InChI | InChI=1S/C36H71NO8/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-32(40)37-29(30(39)25 -23-21-19-17-12-10-8-6-4-2)28-44-36-35(43)34(42)33(41)31(27-38)45-36/h29-31,33-3 6,38-39,41-43H,3-28H2,1-2H3,(H,37,40)/t29-,30+,31+,33+,34?,35?,36+/m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O )CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |