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CHEBI:152155 - [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
| Formula | C36H63N3O29S |
| Net Charge | 0 |
| Average Mass | 1033.959 |
| Monoisotopic Mass | 1033.32679 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1b_1-5_6*OSO/3=O/3=O]/1-2-3-2-4/a3-b1_b4-c1_c3-d1_d4-e1 |
| InChI | InChI=1S/C36H63N3O29S/c1-10(45)37-13(4-40)29(21(49)14(48)5-41)65-33-19(38-11(2)46)24(52)31(17(8-44)62-33)67-36-28(56)32(23(51)15(6-42)61-36)68-34-20(39-12(3)47)25(53)30(16(7-43)63-34)66-35-27(55)26(54)22(50)18(64-35)9-60-69(57,58)59/h13-36,40-44,48-56H,4-9H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)(H,57,58,59)/t13-,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24+,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1 |
| InChIKey | LMRZADQUCLWJIL-NMMKLEFKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:152155) is a oligosaccharide sulfate (CHEBI:37909) |