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CHEBI:146968 - (2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-6-Carboxy-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(sulfoamino)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(sulfoamino)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid
| Formula | C24H40N2O27S2 |
| Net Charge | 0 |
| Average Mass | 852.705 |
| Monoisotopic Mass | 852.12599 |
| SMILES | O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NS(=O)(=O)O |
| WURCS | WURCS=2.0/3,4,3/[a2122A-1x_1-5][a2122h-1a_1-5_2*NSO/3=O/3=O][a2121A-1a_1-5]/1-2-3-2/a4-b1_b4-c1_c4-d1 |
| InChI | InChI=1S/C24H40N2O27S2/c27-1-3-7(29)8(30)5(25-54(41,42)43)22(47-3)52-16-11(33)13(35)24(53-18(16)20(38)39)50-14-4(2-28)48-23(6(9(14)31)26-55(44,45)46)51-15-10(32)12(34)21(40)49-17(15)19(36)37/h3-18,21-35,40H,1-2H2,(H,36,37)(H,38,39)(H,41,42,43)(H,44,45,46)/t3-,4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,17+,18-,21?,22-,23-,24-/m1/s1 |
| InChIKey | OBQQZPWKZXKROH-ZEWDQHFESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-6-Carboxy-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(sulfoamino)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(sulfoamino)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid (CHEBI:146968) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| 2-deoxy-2-sulfoamino-alpha-D-gluco-hexopyranosyl-(1->4)-alpha-L-ido-hexopyranosyluronic acid-(1->4)-2-deoxy-2-sulfoamino-alpha-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranuronic acid | SUBMITTER |
| GlcNS(a1-4)IdoA(a1-4)GlcNS(a1-4)GlcA | SUBMITTER |