Molecule ID: 137553754

IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[oxido-[(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14-trienoxy]phosphoryl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

Description: The molecule is an organophosphate oxoanion arising from deprotonation of the carboxy and phosphate groups of archaeal dolichyl beta-D-glucuronosyl-(1->4)-alpha-D-glucosyl phosphate; 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 is an organophosphate oxoanion and a carbohydrate acid derivative anion. It derives from an archaeal dolichol.

SMILES: C/C(=C/CCC(C)CCOP(=O)([O-])O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)CC/C=C(\C)CC/C=C(\C)CCCC(C)C

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

InChI: InChI=1S/C37H65O15P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-48-53(46,47)52-37-32(43)30(41)33(27(21-38)49-37)50-36-31(42)28(39)29(40)34(51-36)35(44)45/h13,15,17,22,26-34,36-43H,7-12,14,16,18-21H2,1-6H3,(H,44,45)(H,46,47)/p-2/b23-13+,24-15+,25-17-/t26?,27-,28+,29+,30-,31-,32-,33-,34+,36-,37-/m1/s1

Molecular Properties:
- Polar Surface Area: 248.0 Ų
- LogP: 5.2