Molecule ID: 15199918

IUPAC Name: [(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enyl] dihydrogen phosphate

Description: The molecule is a N-acylsphingosine 1-phosphate in which the N-acyl group is specified as acetyl. It derives from a N-acetylsphingosine. It is a conjugate acid of a N-acetylsphingosine 1-phosphate(2-).

SMILES: CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N=C(C)O

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

InChI: InChI=1S/C20H40NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(21-18(2)22)17-27-28(24,25)26/h15-16,19-20,23H,3-14,17H2,1-2H3,(H,21,22)(H2,24,25,26)/b16-15+/t19-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 4.4