Chemical Component Summary

NameN-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
Identifiers~{N}-[(2~{S},3~{S},4~{R})-1-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)octadecan-2-yl]undecanamide
FormulaC35 H69 N O9
Molecular Weight647.924
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O
InChIInChI=1S/C35H69NO9/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-28(38)31(40)27(36-30(39)24-22-20-18-12-10-8-6-4-2)26-44-35-34(43)33(42)32(41)29(25-37)45-35/h27-29,31-35,37-38,40-43H,3-26H2,1-2H3,(H,36,39)/t27-,28+,29+,31-,32-,33-,34+,35-/m0/s1
InChIKeyXAGHGLSSJDVTMX-NOUVZJLJSA-N

Chemical Details

Formal Charge0
Atom Count114
Chiral Atom Count8
Bond Count114
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 90677410
ChEMBL CHEMBL3265155
ChEBI CHEBI:140414