Molecule ID: 91846204

IUPAC Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate

Description: The molecule is a mannose phosphate that is D-mannose phosphorylated at position 6 by a N-acetyl-D-glucosaminyl-1-phosphono group. Found in the milk of giant pandas. It has a role as a mammalian metabolite. It is a N-acyl-D-glucosamine 1-phosphate and a mannose phosphate.

SMILES: CC(O)=N[C@H]1[C@@H](OP(=O)(O)OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O

SELFIES: [C][C][Branch1][C][O][=N][C@H1][C@@H1][Branch2][Ring1][=N][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=Branch2][O]

InChI: InChI=1S/C14H26NO14P/c1-4(17)15-7-10(20)8(18)5(2-16)28-14(7)29-30(24,25)26-3-6-9(19)11(21)12(22)13(23)27-6/h5-14,16,18-23H,2-3H2,1H3,(H,15,17)(H,24,25)/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 245.0 Ų
- LogP: -5.8