EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C19H37N5O7 |
| Net Charge | 0 |
| Average Mass | 447.533 |
| Monoisotopic Mass | 447.26930 |
| SMILES | CN[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](OC3OC(CN)=CCC3N)[C@H](N)C[C@@H]2N)OC[C@@]1(C)O |
| InChI | InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9?,10-,11+,12+,13-,14+,15-,16+,17?,18+,19-/m1/s1 |
| InChIKey | URWAJWIAIPFPJE-ZOZJWRQMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4S,5S)-2-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (CHEBI:94377) is a amino cyclitol (CHEBI:61689) |
| (2S,3R,4S,5S)-2-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (CHEBI:94377) is a glycoside (CHEBI:24400) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5048 | LINCS |