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CHEBI:152700 - (2S,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4R,5S,6S)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5,6-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](NC(C)=O)[C@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4C(=O)O)O[C@H](CO)[C@@H]3OS(=O)(=O)O)O[C@@H]2C(=O)O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2122A-1x_1-5][a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2122A-1b_1-5]/1-2-3-2/a4-b1_b3-c1_c4-d1 |
| InChI | InChI=1S/C28H44N2O29S2/c1-5(33)29-9-11(35)16(58-60(45,46)47)7(3-31)51-26(9)55-20-13(37)15(39)28(57-22(20)24(42)43)54-18-10(30-6(2)34)27(52-8(4-32)17(18)59-61(48,49)50)56-19-12(36)14(38)25(44)53-21(19)23(40)41/h7-22,25-28,31-32,35-39,44H,3-4H2,1-2H3,(H,29,33)(H,30,34)(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 | AYWIAFZJVVXXNB-JRGHAKQDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4R,5S,6S)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid (CHEBI:152700) is a oligosaccharide sulfate (CHEBI:37909) |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranuronic acid | SUBMITTER |
| GalNAc4S(b1-4)GlcA(b1-3)GalNAc4S(b1-4)GlcA | SUBMITTER |