In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019AQF |
---|---|
Common Name | GlcCer(t15:0/10:0) |
Systematic Name | N-(decanoyl)-1-β-glucosyl-4R-hydroxypentadecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C31H61NO9 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | VRELCGPOUDUXRS-YVRSDDOISA-N |
InChI | InChI=1S/C31H61NO9/c1-3-5-7-9-11-12-14-15-17-19-24(34)27(36)23(32-26(35)20-18-16 -13-10-8-6-4-2)22-40-31-30(39)29(38)28(37)25(21-33)41-31/h23-25,27-31,33-34,36-3 9H,3-22H2,1-2H3,(H,32,35)/t23-,24+,25+,27-,28+,29?,30?,31+/m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)[C@@H ](CCCCCCCCCCC)O |
MS Spectra | - |
Status | Active (generated by computational methods) |