EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H56N6Ru |
| Net Charge | 0 |
| Average Mass | 625.912 |
| Monoisotopic Mass | 626.36100 |
| SMILES | [H]C1=C(C([H])([H])[H])C([H])([H])[C@]2([H])[N](C1([H])[H])[Ru@OH1]13([N]4C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@]42[H])([N]2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]2([H])[N]1C([H])([H])C([H])([H])C([H])([H])C2([H])[H])[N]1C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])[C@]1([H])[N]3C([H])([H])C([H])([H])C([H])([H])C1([H])[H] |
| InChI | InChI=1S/C12H20N2.2C10H18N2.Ru/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3,10-12H,4-8H2,1-2H3;2*9-10H,1-8H2;/q3*-2;+6/t10-,11-,12-;9-,10+;9-,10-;/m0.1./s1 |
| InChIKey | YAYKSGBDMCLSRX-OYAZEYRKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,2'R)-2,2'-bipiperidinato(2−)-κ2N1,N1'][(2R,2'S)-2,2'-bipiperidinato(2−)-κ2N1,N1'][(2S)-4-methyl-2-[(2S,4S)-4-methylpiperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium (CHEBI:47663) is a bipiperidines (CHEBI:48576) |
| [(2R,2'R)-2,2'-bipiperidinato(2−)-κ2N1,N1'][(2R,2'S)-2,2'-bipiperidinato(2−)-κ2N1,N1'][(2S)-4-methyl-2-[(2S,4S)-4-methylpiperidin-2-yl-κN]-1,2,3,6-tetrahydropyridinato(2−)-κN]ruthenium (CHEBI:47663) is a ruthenium coordination entity (CHEBI:35733) |
| Synonym | Source |
|---|---|
| [(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(2S)-4-methyl-2-[(2S,4S)-4-methylpiperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| RUA | PDBeChem |