Molecule ID: 118797946

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

Description: The molecule is a ceramide obtained by formal condensation of the carboxy group of heptadecanoic 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 is a ceramide and a Cer(d34:1). It derives from a 14-methylhexadecasphingosine and a heptadecanoic acid.

SMILES: CCCCCCCCCCCCCCCCC(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][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/C34H67NO3/c1-4-6-7-8-9-10-11-12-13-14-15-20-23-26-29-34(38)35-32(30-36)33(37)28-25-22-19-17-16-18-21-24-27-31(3)5-2/h25,28,31-33,36-37H,4-24,26-27,29-30H2,1-3H3,(H,35,38)/b28-25+/t31?,32-,33+/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 12.6