2LJ
1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Find entries where: 2LJ
is present as a standalone ligand in 1 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 18 entries
Chemical Component Summary | |
|---|---|
| Name | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol |
| Synonyms | 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil |
| Identifiers | 5-[(~{E})-propylideneamino]-6-[[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]amino]-1~{H}-pyrimidine-2,4-dione |
| Formula | C12 H20 N4 O6 |
| Molecular Weight | 316.31 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O |
| InChI | InChI=1S/C12H20N4O6/c1-2-3-13-8-10(15-12(22)16-11(8)21)14-4-6(18)9(20)7(19)5-17/h3,6-7,9,17-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t6-,7+,9-/m0/s1 |
| InChIKey | YCMPUNANLDFPQG-FHZGFTDOSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 42 |
| Chiral Atom Count | 3 |
| Bond Count | 42 |
| Aromatic Bond Count | 0 |
