Chebi:232737

Structural Information

Molecular Formula

C₅₃H₈₈N₄O₄₅S₂

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)O)CO)CO)O)COS(=O)(=O)O)COS(=O)(=O)O)O)O

InChI

InChI=1S/C53H88N4O45S2/c1-13(63)54-25-17(67)5-53(52(80)81,101-42(25)29(69)18(68)6-58)102-45-32(72)23(11-88-103(82,83)84)94-51(38(45)78)98-41-24(12-89-104(85,86)87)95-48(28(35(41)75)57-16(4)66)100-44-31(71)20(8-60)92-50(37(44)77)97-40-22(10-62)93-47(27(34(40)74)56-15(3)65)99-43-30(70)19(7-59)91-49(36(43)76)96-39-21(9-61)90-46(79)26(33(39)73)55-14(2)64/h17-51,58-62,67-79H,5-12H2,1-4H3,(H,54,63)(H,55,64)(H,56,65)(H,57,66)(H,80,81)(H,82,83,84)(H,85,86,87)/t17-,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+,43-,44-,45-,46+,47-,48-,49-,50-,51-,53-/m0/s1

InChIKey

WWOMHNHXRYJTJI-YQNRVFQDSA-N

Compound name

(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(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-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Related CIDs

• CID 172429396