EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C58H98N2O46 |
| Net Charge | 0 |
| Average Mass | 1559.390 |
| Monoisotopic Mass | 1558.53907 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O |
| InChI | InChI=1S/C58H98N2O46/c1-12(68)59-23-32(77)44(19(8-66)92-50(23)89)101-51-24(60-13(2)69)33(78)45(20(9-67)98-51)102-57-43(88)48(105-58-49(37(82)28(73)17(6-64)97-58)106-56-42(87)46(29(74)18(7-65)96-56)103-54-39(84)35(80)26(71)15(4-62)94-54)31(76)22(100-57)11-91-53-41(86)47(104-55-40(85)36(81)27(72)16(5-63)95-55)30(75)21(99-53)10-90-52-38(83)34(79)25(70)14(3-61)93-52/h14-58,61-67,70-89H,3-11H2,1-2H3,(H,59,68)(H,60,69)/t14-,15-,16-,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+,52+,53+,54-,55-,56-,57+,58-/m1/s1 |
| InChIKey | LNZYXRNFDSHSOA-CGYCWVJMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Manp-(1→3)-α-D-Manp-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:156092) is a (Hex)6,7(HexNAc)2 (CHEBI:83238) |
| α-D-Manp-(1→3)-α-D-Manp-(1→2)-α-D-Manp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:156092) is a high-mannose oligosaccharide (CHEBI:5717) |