Molecule ID: 71581154

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

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

SMILES: CCCCCCCCCCCCCCC(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][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/C32H63NO3/c1-4-5-6-7-8-9-10-11-15-18-21-24-27-32(36)33-30(28-34)31(35)26-23-20-17-14-12-13-16-19-22-25-29(2)3/h23,26,29-31,34-35H,4-22,24-25,27-28H2,1-3H3,(H,33,36)/b26-23+/t30-,31+/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 11.5