Molecule ID: 70680361

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

Description: The molecule is an N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 18 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecasphing-4-enine.

SMILES: CCCCCCCCCCCCCCCCC(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][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/C35H69NO4/c1-4-5-6-7-8-9-10-11-12-13-16-20-23-26-29-34(39)35(40)36-32(30-37)33(38)28-25-22-19-17-14-15-18-21-24-27-31(2)3/h25,28,31-34,37-39H,4-24,26-27,29-30H2,1-3H3,(H,36,40)/b28-25+/t32-,33+,34?/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 12.4