Molecule ID: 118797955

IUPAC Name: N-[(2S,3R)-1,3-dihydroxy-14-methylhexadecan-2-yl]docosanamide

Description: The molecule is a ceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 14-methylhexadecasphinganine. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It derives from a docosanoic acid.

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

SELFIES: [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][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][C]

InChI: InChI=1S/C39H79NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-22-21-23-26-29-32-36(3)5-2/h36-38,41-42H,4-35H2,1-3H3,(H,40,43)/t36?,37-,38+/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 15.8