Molecule ID: 70680367

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

Description: The molecule is an N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 21 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecasphing-4-enine.

SMILES: CCCCCCCCCCCCCCCCCCCC(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][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/C38H75NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-37(42)38(43)39-35(33-40)36(41)31-28-25-22-20-17-18-21-24-27-30-34(2)3/h28,31,34-37,40-42H,4-27,29-30,32-33H2,1-3H3,(H,39,43)/b31-28+/t35-,36+,37?/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 14.0