Molecule ID: 91666423

IUPAC Name: (Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icos-11-enamide

Description: The molecule is an N-icosenoylsphinganine in which the double bond is located at position 11 (the Z-geoisomer). It is a N-icosenoylsphinganine and a Cer(d38:1). It derives from an (11Z)-icos-11-enoic acid.

SMILES: CCCCCCCC/C=C\CCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC

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

InChI: InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,36-37,40-41H,3-16,19-35H2,1-2H3,(H,39,42)/b18-17-/t36-,37+/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 14.6