Molecule ID: 71581144

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

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

SMILES: CCCCCCCCCCCCCCCCC(O)C(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][Branch1][C][O][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/C35H71NO5/c1-4-5-6-7-8-9-10-11-12-13-14-19-22-25-28-33(39)35(41)36-31(29-37)34(40)32(38)27-24-21-18-16-15-17-20-23-26-30(2)3/h30-34,37-40H,4-29H2,1-3H3,(H,36,41)/t31-,32+,33?,34-/m0/s1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 11.7