In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019JSY |
---|---|
Common Name | GalCer(d14:1(8E)/10:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydecanoyl)-1-β-galactosyl-8E-tetradecasphingenine |
Synonyms | GalCer(d24:1h); GalCer(d14:1/10:0h) |
Exact Mass | |
Formula | C30H57NO9 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | FZNYUKIQRUIWPW-CBXHUMKQSA-N |
InChI | InChI=1S/C30H57NO9/c1-3-5-7-9-11-12-13-15-16-18-23(33)22(31-29(38)24(34)19-17-14 -10-8-6-4-2)21-39-30-28(37)27(36)26(35)25(20-32)40-30/h11-12,22-28,30,32-37H,3-1 0,13-21H2,1-2H3,(H,31,38)/b12-11+/t22-,23+,24+,25+,26-,27?,28?,30+/m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCC)=O)[C@]([H])(O )CCCC/C=C/CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |