Molecule ID: 9546813

IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] (6Z,9Z)-octadeca-6,9-dienoate

Description: The molecule is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (6Z,9Z)-octadecadienoyl respectively. It has a role as a mouse metabolite. It derives from a (6Z,9Z)-octadecadienoic acid.

SMILES: CCCCCCCC/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC

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

InChI: InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23-26,39H,3-16,21-22,27-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-,25-23-,26-24-/t39-/m1/s1

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: 9.2