Molecule ID: 91972288

IUPAC Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14-trienyl] phosphate

Description: The molecule is an organophosphate oxoanion that is the conjugate base of archaeal dolichyl N-acetyl-alpha-D-glucosaminyl phosphate arising from deprotonation of the phosphate OH group; major species at pH 7.3. Dolichol used by archaea is is generally much shorter (C55-C60) than that used by eukaryotes and may have additional saturation positions in the chain. It derives from an archaeal dolichol.

SMILES: CC([O-])=N[C@H]1[C@@H](OP(=O)(O)OCCC(C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O

SELFIES: [C][C][Branch1][C][O-1][=N][C@H1][C@@H1][Branch2][Ring2][=N][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][Branch1][C][C][C][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][C][C][Branch1][C][C][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][#Branch1][O]

InChI: InChI=1S/C33H60NO9P/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-17-26(5)18-11-19-27(6)20-21-41-44(39,40)43-33-30(34-28(7)36)32(38)31(37)29(22-35)42-33/h14,16,18,23,27,29-33,35,37-38H,8-13,15,17,19-22H2,1-7H3,(H,34,36)(H,39,40)/p-1/b24-14+,25-16+,26-18-/t27?,29-,30-,31-,32-,33-/m1/s1

Molecular Properties:
- Polar Surface Area: 158.0 Ų
- LogP: 6.4