Molecule ID: 138756152

IUPAC Name: N-[(3S,4S,5R)-4,5-dihydroxy-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]docosan-3-yl]heptacosanamide

Description: The molecule is a neoglycosphingolipid that is a synthesized C-glycosyl analogue of myelin-derived galactosylceramide (Mye-GalCer). It is a C-glycosyl compound and a neoglycosphingolipid.

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=N[C@@H](CC[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCCC

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][=N][C@@H1][Branch2][Ring1][=Branch1][C][C][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]

InChI: InChI=1S/C55H109NO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-43-51(59)56-47(44-45-49-53(61)55(63)54(62)50(46-57)64-49)52(60)48(58)42-40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h47-50,52-55,57-58,60-63H,3-46H2,1-2H3,(H,56,59)/t47-,48+,49+,50+,52-,53-,54-,55+/m0/s1

Molecular Properties:
- Polar Surface Area: 160.0 Ų
- LogP: 19.0