Molecule ID: 70680371

IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxytricosanamide

Description: The molecule is an N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 23 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecasphing-4-enine.

SMILES: CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=N[C@@H](CO)[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][C][C][C][C][C][Branch1][C][O][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][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/C40H79NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-39(44)40(45)41-37(35-42)38(43)33-30-27-24-22-19-20-23-26-29-32-36(2)3/h30,33,36-39,42-44H,4-29,31-32,34-35H2,1-3H3,(H,41,45)/b33-30+/t37-,38+,39?/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 15.1