EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H29N3O19P2 |
| Net Charge | 0 |
| Average Mass | 677.402 |
| Monoisotopic Mass | 677.08705 |
| SMILES | [H]OC(=O)C(O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@]([H])(O[P@@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(n3c([H])c([H])c(=O)n([H])c3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]1([H])N([H])C(=O)C([H])([H])[H])=C([H])[H] |
| InChI | InChI=1S/C20H29N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,9-10,12-17,19,24,27-29H,1,5-6H2,2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 |
| InChIKey | BEGZZYPUNCJHKP-DBYWSUQTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID (CHEBI:42456) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid (non-preferred name) | PDBeChem |
| URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| EPU | PDBeChem |