Chebi:232733

Structural Information

Molecular Formula

C₄₂H₇₁N₃O₃₄S

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O

InChI

InChI=1S/C42H71N3O34S/c1-10(51)43-19-25(57)32(16(7-49)69-37(19)64)75-41-30(62)35(23(55)14(5-47)71-41)78-38-20(44-11(2)52)26(58)33(17(8-50)73-38)76-42-31(63)36(24(56)15(6-48)72-42)79-39-21(45-12(3)53)27(59)34(18(74-39)9-68-80(65,66)67)77-40-29(61)28(60)22(54)13(4-46)70-40/h13-42,46-50,54-64H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)(H,65,66,67)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42+/m1/s1

InChIKey

VYBVIUYZIQYBDL-KQTVYHKSSA-N

Compound name

[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

Related CIDs

• CID 172429390