EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C62H98O51 |
| Net Charge | 0 |
| Average Mass | 1659.415 |
| Monoisotopic Mass | 1658.50750 |
| SMILES | CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](COC(C)=O)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](COC(C)=O)O[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| InChI | InChI=1S/C62H98O51/c1-13(65)92-10-22-31(78)42(48(53(91)99-22)110-55-38(85)26(73)17(69)7-96-55)104-60-49(111-56-39(86)27(74)18(70)8-97-56)43(30(77)21(5-64)101-60)106-62-51(113-58-41(88)34(81)36(83)46(108-58)52(89)90)45(33(80)24(103-62)12-94-15(3)67)107-61-50(112-57-40(87)28(75)19(71)9-98-57)44(32(79)23(102-61)11-93-14(2)66)105-59-47(35(82)29(76)20(4-63)100-59)109-54-37(84)25(72)16(68)6-95-54/h16-51,53-64,68-88,91H,4-12H2,1-3H3,(H,89,90)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29-,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,53+,54+,55+,56+,57+,58+,59-,60-,61-,62-/m1/s1 |
| InChIKey | DFGFUMNRNHKXNH-WELZKHCGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Xylp-(1→2)-α-D-Manp-(1→3)-[β-D-Xylp-(1→2)]-α-D-Manp6Ac-(1→3)-[β-D-GlcpA-(1→2)]-α-D-Manp6Ac-(1→3)-[β-D-Xylp-(1→2)]-α-D-Manp-(1→3)-[β-D-Xylp-(1→2)]-α-D-Manp6Ac (CHEBI:176973) is a decasaccharide derivative (CHEBI:68692) |
| IUPAC Name |
|---|
| β-D-glucopyranuronosyl-(1→2)-[β-D-xylopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)]-6-O-acetyl-α-D-mannopyranosyl-(1→3)]-6-O-acetyl-α-D-mannopyranosyl-(1→3)-[β-D-xylopyranosyl-(1→2)]-α-D-mannopyranosyl-(1→3)-[β-D-xylopyranosyl-(1→2)]-6-O-acetyl-α-D-mannopyranosyl-(1→3)-α-D-mannopyranose |
| Synonyms | Source |
|---|---|
| β-D-glucuronosyl-(1→2)-[β-D-xylosyl-(1→2)-[β-D-xylosyl-(1→2)-α-D-mannosyl-(1→3)]-6-O-acetyl-α-D-mannosyl-(1→3)]-6-O-acetyl-α-D-mannosyl-(1→3)-[β-D-xylosyl-(1→2)]-α-D-mannosyl-(1→3)-[β-D-xylosyl-(1→2)]-6-O-acetyl-α-D-mannosyl-(1→3)-α-D-mannose | ChEBI |
| β-D-Xyl-(1→2)-α-D-Man-(1→3)-[β-D-Xyl-(1→2)]-α-D-Man6Ac-(1→3)-[β-D-GlcA-(1→2)]-α-D-Man6Ac-(1→3)-[β-D-Xyl-(1→2)]-α-D-Man-(1→3)-[β-D-Xyl-(1→2)]-α-D-Man6Ac | ChEBI |
| Xylβ1-2Manα1-3(Xylβ1-2)Man6Acα1-3(GlcAβ1-2)Man6Acα1-3(Xylβ1-2)Manα1-3(Xylβ1-2)Man6Acα | ChEBI |
| Citations |
|---|