Chebi:232734

Structural Information

Molecular Formula

C₄₂H₇₁N₃O₃₇S₂

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)COS(=O)(=O)O)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/C42H71N3O37S2/c1-10(50)43-19-25(56)32(15(6-48)72-37(19)63)78-41-30(61)35(23(54)14(5-47)74-41)81-38-20(44-11(2)51)26(57)33(16(7-49)75-38)79-42-31(62)36(24(55)17(76-42)8-70-83(64,65)66)82-39-21(45-12(3)52)27(58)34(18(77-39)9-71-84(67,68)69)80-40-29(60)28(59)22(53)13(4-46)73-40/h13-42,46-49,53-63H,4-9H2,1-3H3,(H,43,50)(H,44,51)(H,45,52)(H,64,65,66)(H,67,68,69)/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

OTNOMIBZLKJUGO-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-(sulfooxymethyl)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 172429392