EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H55NO25 |
| Net Charge | 0 |
| Average Mass | 853.774 |
| Monoisotopic Mass | 853.30632 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4/a4-b1_b2-c1_c4-d1_d2-e1 |
| InChI | InChI=1S/C32H55NO25/c1-7-14(39)18(43)23(48)30(50-7)58-27-20(45)16(41)10(4-35)53-32(27)55-24-12(6-37)54-29(13(17(24)42)33-8(2)38)57-26-19(44)15(40)9(3-34)52-31(26)56-25-11(5-36)51-28(49)22(47)21(25)46/h7,9-32,34-37,39-49H,3-6H2,1-2H3,(H,33,38)/t7-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18+,19-,20-,21+,22+,23-,24+,25+,26+,27+,28+,29-,30-,31-,32-/m0/s1 |
| InChIKey | CZGRUDAOCWIIAU-YCJMPIAASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:155427) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose | SUBMITTER |
| Fuc(a1-2)Gal(b1-4)GlcNAc(b1-2)Gal(b1-4)b-Glc | SUBMITTER |