Molecule ID: 70679066

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]heptadecanamide

Description: The molecule is an N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 17 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine.

SMILES: CCCCCCCCCCCCCCCCC(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][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/C40H77NO8/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-36(44)41-33(31-48-40-39(47)38(46)37(45)35(30-42)49-40)34(43)28-25-22-19-16-14-15-18-21-24-27-32(2)3/h25,28,32-35,37-40,42-43,45-47H,4-24,26-27,29-31H2,1-3H3,(H,41,44)/b28-25+/t33-,34+,35+,37+,38-,39+,40+/m0/s1

Molecular Properties:
- Polar Surface Area: 149.0 Ų
- LogP: 11.0