Molecule ID: 71581148

IUPAC Name: N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]henicosanamide

Description: The molecule is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 21 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C

SELFIES: [C][C][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@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C]

InChI: InChI=1S/C38H77NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-37(42)39-35(33-40)38(43)36(41)31-28-25-22-20-19-21-24-27-30-34(2)3/h34-36,38,40-41,43H,4-33H2,1-3H3,(H,39,42)/t35-,36+,38-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 14.1