In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019AEW |
---|---|
Common Name | GlcCer(d14:1(4E)/10:0) |
Systematic Name | N-(decanoyl)-1-β-glucosyl-4E-tetradecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C30H57NO8 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | LQCMMRYOROCVFP-JMZXQAOASA-N |
InChI | InChI=1S/C30H57NO8/c1-3-5-7-9-11-12-14-15-17-19-24(33)23(31-26(34)20-18-16-13-10 -8-6-4-2)22-38-30-29(37)28(36)27(35)25(21-32)39-30/h17,19,23-25,27-30,32-33,35-3 7H,3-16,18,20-22H2,1-2H3,(H,31,34)/b19-17+/t23-,24+,25+,27+,28?,29?,30+/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=C/ CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |