Molecule ID: 70679056

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

Description: The molecule is a phosphosphingolipid that is 15-methylhexadecasphinganine bearing a single phospho substituent at position 1. It derives from a 15-methylhexadecasphinganine. It is a conjugate acid of a 15-methylhexadecasphinganine 1-phosphate(1-).

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][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)/t16-,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 1.6