Iota-neocarratetraose sulfate

Structural Information

Molecular Formula

C₂₄H₃₈O₃₁S₄

SMILES

C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3OS(=O)(=O)O)CO)O[C@H]4[C@H]5CO[C@@H]4[C@H]([C@H](O5)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OS(=O)(=O)O)CO)O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C24H38O31S4/c25-1-5-13(52-56(31,32)33)16(10(28)21(30)45-5)50-24-20(55-59(40,41)42)18-12(8(48-24)4-44-18)49-22-11(29)17(14(6(2-26)46-22)53-57(34,35)36)51-23-19(54-58(37,38)39)15-9(27)7(47-23)3-43-15/h5-30H,1-4H2,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)/t5-,6-,7-,8-,9+,10-,11-,12+,13+,14+,15+,16-,17-,18+,19-,20-,21-,22+,23-,24-/m1/s1

InChIKey

QILNVJZKGZSQFJ-IXTYJRGDSA-N

Compound name

[(2R,3S,4R,5R,6R)-5,6-dihydroxy-4-[[(1R,3R,4R,5S,8S)-8-[(2S,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4-[[(1R,3R,4R,5S,8S)-8-hydroxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-sulfooxyoxan-2-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

Related CIDs

• CID 54758694