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CHEBI:153824 - (2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Formula | C28H44N2O29S2 |
| Net Charge | 0 |
| Average Mass | 936.779 |
| Monoisotopic Mass | 936.14712 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](OS(=O)(=O)O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2122A-1b_1-5][a2112h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-2/a3-b1_b4-c1_c3-d1 |
| InChI | InChI=1S/C28H44N2O29S2/c1-5(32)29-9-19(17(59-61(48,49)50)7(3-31)52-25(9)44)55-28-16(39)14(37)20(22(58-28)24(42)43)56-26-10(30-6(2)33)18(11(34)8(53-26)4-51-60(45,46)47)54-27-15(38)12(35)13(36)21(57-27)23(40)41/h7-22,25-28,31,34-39,44H,3-4H2,1-2H3,(H,29,32)(H,30,33)(H,40,41)(H,42,43)(H,45,46,47)(H,48,49,50)/t7-,8-,9-,10-,11+,12+,13+,14-,15-,16-,17+,18-,19-,20+,21+,22+,25?,26+,27-,28-/m1/s1 |
| InChIKey | FLMZHBPYKKFCGY-BSGWHXQDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:153824) is a oligosaccharide sulfate (CHEBI:37909) |
| Synonyms | Source |
|---|---|
| GlcA(b1-3)GalNAc6S(b1-4)GlcA(b1-3)GalNAc4S | SUBMITTER |
| beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-D-galacto-hexopyranose | SUBMITTER |