Molecule ID: 70679238

IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxy-15-methylhexadec-4-enyl] dihydrogen phosphate

Description: The molecule is a phosphosphigolipid that is 15-methylhexadecasphing-4-enine bearing a single phospho substituent at position 1. It derives from a 15-methylhexadecasphing-4-enine. It is a conjugate acid of a 15-methylhexadecasphing-4-enine 1-phosphate(1-).

SMILES: CC(C)CCCCCCCCC/C=C/[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/C17H36NO5P/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(19)16(18)14-23-24(20,21)22/h11,13,15-17,19H,3-10,12,14,18H2,1-2H3,(H2,20,21,22)/b13-11+/t16-,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 1.1