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CHEBI:151311 - [(2R,3S,4R,5S)-5-Acetamido-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate
| Formula | C34H60N2O31S2 |
| Net Charge | 0 |
| Average Mass | 1056.971 |
| Monoisotopic Mass | 1056.26215 |
| 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]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)COS(=O)(=O)O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/4,5,4/[h2122h_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a1221m-1a_1-5]/1-2-3-4-2/a4-b1_b3-c1_c3-d1_c4-e1 |
| InChI | InChI=1S/C34H60N2O31S2/c1-9-18(43)22(47)24(49)32(60-9)66-29-17(36-11(3)41)31(63-16(8-59-69(55,56)57)28(29)65-33-25(50)23(48)20(45)14(5-38)61-33)67-30-21(46)15(6-39)62-34(26(30)51)64-27(13(42)7-58-68(52,53)54)19(44)12(4-37)35-10(2)40/h9,12-34,37-39,42-51H,4-8H2,1-3H3,(H,35,40)(H,36,41)(H,52,53,54)(H,55,56,57)/t9-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23-,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34-/m0/s1 |
| InChIKey | KMVUJBZHYMNYRC-VFMGNAJVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3S,4R,5S)-5-Acetamido-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate (CHEBI:151311) is a oligosaccharide sulfate (CHEBI:37909) |