Molecule ID: 118797947

IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxy-14-methylhexadec-4-en-2-yl]hexadecanamide

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

SMILES: CCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCC(C)CC

SELFIES: [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/C33H65NO3/c1-4-6-7-8-9-10-11-12-13-14-19-22-25-28-33(37)34-31(29-35)32(36)27-24-21-18-16-15-17-20-23-26-30(3)5-2/h24,27,30-32,35-36H,4-23,25-26,28-29H2,1-3H3,(H,34,37)/b27-24+/t30?,31-,32+/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 12.0