Molecule ID: 71581181

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

Description: The molecule is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 28 carbons and 0 double bonds. It is a N-acyl-15-methylhexadecaphytosphingosine and a N-(ultra-long-chain-acyl)-sphingoid base. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(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][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/C45H91NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-33-36-39-44(49)46-42(40-47)45(50)43(48)38-35-32-29-27-26-28-31-34-37-41(2)3/h41-43,45,47-48,50H,4-40H2,1-3H3,(H,46,49)/t42-,43+,45-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 17.9