Oligosaccharide ds-5

Structural Information

Molecular Formula

C₃₆H₅₇N₃O₃₄S₂

SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@H]2C(=O)O)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3OS(=O)(=O)O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@H]5[C@H]([C@H](OC([C@@H]5NC(=O)C)O)CO)OS(=O)(=O)O)O)O)NC(=O)C)O)O)CO)O)O

InChI

InChI=1S/C36H57N3O34S2/c1-7(43)37-13-17(47)16(46)10(4-40)64-33(13)68-26-18(48)21(51)36(71-28(26)30(52)53)67-25-15(39-9(3)45)34(65-12(6-42)23(25)73-75(60,61)62)69-27-19(49)20(50)35(70-29(27)31(54)55)66-24-14(38-8(2)44)32(56)63-11(5-41)22(24)72-74(57,58)59/h10-29,32-36,40-42,46-51,56H,4-6H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)(H,52,53)(H,54,55)(H,57,58,59)(H,60,61,62)/t10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22+,23+,24-,25-,26+,27+,28-,29-,32?,33+,34+,35-,36-/m1/s1

InChIKey

JPDWLRJMWHYFTN-LYWAPBACSA-N

Compound name

(2R,3S,4R,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 146672374