Chebi:232738

Structural Information

Molecular Formula

C₅₃H₈₈N₄O₄₈S₃

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)COS(=O)(=O)O)O)COS(=O)(=O)O)COS(=O)(=O)O)O)O

InChI

InChI=1S/C53H88N4O48S3/c1-13(62)54-25-17(66)5-53(52(79)80,104-42(25)29(68)18(67)6-58)105-45-32(71)23(11-91-107(84,85)86)97-51(38(45)77)101-41-24(12-92-108(87,88)89)98-48(28(35(41)74)57-16(4)65)103-44-31(70)22(10-90-106(81,82)83)96-50(37(44)76)100-40-21(9-61)95-47(27(34(40)73)56-15(3)64)102-43-30(69)19(7-59)94-49(36(43)75)99-39-20(8-60)93-46(78)26(33(39)72)55-14(2)63/h17-51,58-61,66-78H,5-12H2,1-4H3,(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)/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

CITUKAURBRLLQQ-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-(sulfooxymethyl)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 172429398