EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H27N3O15P2 |
| Net Charge | 0 |
| Average Mass | 563.346 |
| Monoisotopic Mass | 563.09174 |
| SMILES | Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)[C@@H](NO)[C@H](O)[C@H]3O)O2)c(=O)nc1=O |
| InChI | InChI=1S/C16H27N3O15P2/c1-6-4-19(16(24)17-14(6)23)10-3-8(20)9(32-10)5-30-35(26,27)34-36(28,29)33-15-13(22)12(21)11(18-25)7(2)31-15/h4,7-13,15,18,20-22,25H,3,5H2,1-2H3,(H,26,27)(H,28,29)(H,17,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1 |
| InChIKey | CTQMTTSIKPKZPI-LPGAPTBISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dTDP-4-hydroxyamino-4,6-dideoxy-alpha-D-glucose (CHEBI:192479) is a pyrimidine nucleotide-sugar (CHEBI:61109) |
| IUPAC Name |
|---|
| [(2R,3R,4S,5S,6R)-3,4-dihydroxy-5-(hydroxyamino)-6-methyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate |
| Manual Xrefs | Databases |
|---|---|
| C21348 | KEGG COMPOUND |