Molecule ID: 70679055

IUPAC Name: [(2S,3R)-2-azaniumyl-3-hydroxy-15-methylhexadecyl] phosphate

Description: The molecule is an anionic phospholipid that is the conjugate base of 15-methylhexadecasphinganine 1-phosphate, having an anionic phosphate group and a protonated amino group; major species at pH 7.3. It is a conjugate base of a 15-methylhexadecasphinganine 1-phosphate.

SMILES: CC(C)CCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)([O-])O

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

InChI: InChI=1S/C17H38NO5P/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(19)16(18)14-23-24(20,21)22/h15-17,19H,3-14,18H2,1-2H3,(H2,20,21,22)/p-1/t16-,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 1.4