EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H41N5O14 |
| Net Charge | 0 |
| Average Mass | 659.646 |
| Monoisotopic Mass | 659.26500 |
| SMILES | [H]OC([H])([H])[C@@]1([H])O[C@]([H])(OC([H])([H])C([H])([H])C([H])([H])N([H])C(=O)c2c([H])c(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])c([H])c(C([H])([H])N=[N+]=[N-])c2[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| InChI | InChI=1S/C27H41N5O14/c28-32-31-10-13-7-14(24(41)29-3-1-5-43-26-22(39)20(37)18(35)16(11-33)45-26)9-15(8-13)25(42)30-4-2-6-44-27-23(40)21(38)19(36)17(12-34)46-27/h7-9,16-23,26-27,33-40H,1-6,10-12H2,(H,29,41)(H,30,42)/t16-,17-,18-,19-,20+,21+,22+,23+,26+,27+/m1/s1 |
| InChIKey | GKRIMQPDERYOML-LHMXEDMUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)-CARBOMYL 5-METHYAZIDO-BENZENE (CHEBI:42300) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)-CARBOMYL 5-METHYAZIDO-BENZENE | PDBeChem |
| 5-(azidomethyl)-N,N'-bis[3-(alpha-D-mannopyranosyloxy)propyl]benzene-1,3-dicarboxamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| EJT | PDBeChem |