Molecule ID: 72715762

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

Description: The molecule is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 20 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCCCCCCC(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][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/C37H75NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-36(41)38-34(32-39)37(42)35(40)30-27-24-21-19-18-20-23-26-29-33(2)3/h33-35,37,39-40,42H,4-32H2,1-3H3,(H,38,41)/t34-,35+,37-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 13.6