EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H35NO15 |
| Net Charge | 0 |
| Average Mass | 529.492 |
| Monoisotopic Mass | 529.20067 |
| SMILES | CC(=O)N[C@H]1C(O)O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3/a3-b1_a6-c1 |
| InChI | InChI=1S/C20H35NO15/c1-5-10(24)13(27)15(29)19(33-5)32-4-8-12(26)17(9(18(31)34-8)21-6(2)23)36-20-16(30)14(28)11(25)7(3-22)35-20/h5,7-20,22,24-31H,3-4H2,1-2H3,(H,21,23)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18?,19+,20-/m0/s1 |
| InChIKey | CKPGOBQXBAHKFA-LOBVMDJYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3R,4R,5S,6R)-2,5-Dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide (CHEBI:152365) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose | SUBMITTER |
| Gal(b1-3)[Fuc(a1-6)]GlcNAc | SUBMITTER |