Molecule ID: 10475805

IUPAC Name: (Z)-N-(2-hydroxyethyl)-7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enamide

Description: The molecule is an N-acylethanolamine compound formed by a condensation of prostaglandin H2 and ethanolamine. It is a N-acylethanolamine and a prostaglandins H. It derives from a prostaglandin H2.

SMILES: CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(O)=NCCO)[C@@H]2C[C@H]1OO2

SELFIES: [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@@H1][C@@H1][Branch1][#C][C][/C][=C][\C][C][C][C][Branch1][C][O][=N][C][C][O][C@@H1][C][C@H1][Ring1][P][O][O][Ring1][Branch1]

InChI: InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20-16-21(19)28-27-20)10-7-4-5-8-11-22(26)23-14-15-24/h4,7,12-13,17-21,24-25H,2-3,5-6,8-11,14-16H2,1H3,(H,23,26)/b7-4-,13-12+/t17-,18+,19+,20-,21+/m0/s1

Molecular Properties:
- Polar Surface Area: 88.0 Ų
- LogP: 2.8