Molecule ID: 86583411

IUPAC Name: (2S)-2-azaniumyl-3-[[(2R)-3-heptadecanoyloxy-2-hydroxypropoxy]-oxidophosphoryl]oxypropanoate

Description: The molecule is a 1-acyl-sn-glycero-3-phosphoserine(1-) that is the conjugate base of 1-heptadecanoyl-sn-glycero-3-phosphoserine; major species at pH 7.3. It is a conjugate base of a 1-heptadecanoyl-sn-glycero-3-phosphoserine.

SMILES: CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)[O-]

SELFIES: [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][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C23H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)31-17-20(25)18-32-34(29,30)33-19-21(24)23(27)28/h20-21,25H,2-19,24H2,1H3,(H,27,28)(H,29,30)/p-1/t20-,21+/m1/s1

Molecular Properties:
- Polar Surface Area: 173.0 Ų
- LogP: 3.1