Molecule ID: 70680360

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

Description: The molecule is an N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 19 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine.

SMILES: CCCCCCCCCCCCCCCCCCC(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][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/C36H71NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-36(40)37-34(32-38)35(39)30-27-24-21-18-16-17-20-23-26-29-33(2)3/h27,30,33-35,38-39H,4-26,28-29,31-32H2,1-3H3,(H,37,40)/b30-27+/t34-,35+/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 13.7