Molecule ID: 70679060

IUPAC Name: N-[(E,2S,3R)-3-hydroxy-15-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]hexadecanamide

Description: The molecule is an N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 16 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine.

SMILES: CCCCCCCCCCCCCCCC(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCC(C)C

SELFIES: [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][O][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][=C][/C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C]

InChI: InChI=1S/C39H75NO8/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-35(43)40-32(30-47-39-38(46)37(45)36(44)34(29-41)48-39)33(42)27-24-21-18-15-13-14-17-20-23-26-31(2)3/h24,27,31-34,36-39,41-42,44-46H,4-23,25-26,28-30H2,1-3H3,(H,40,43)/b27-24+/t32-,33+,34+,36+,37-,38+,39+/m0/s1

Molecular Properties:
- Polar Surface Area: 149.0 Ų
- LogP: 10.4