Molecule ID: 70680378

IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]octacosanamide

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

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(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][=C][/C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C]

InChI: InChI=1S/C45H89NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34-37-40-45(49)46-43(41-47)44(48)39-36-33-30-27-25-26-29-32-35-38-42(2)3/h36,39,42-44,47-48H,4-35,37-38,40-41H2,1-3H3,(H,46,49)/b39-36+/t43-,44+/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 18.5