EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C60H101N3O46 |
| Net Charge | 0 |
| Average Mass | 1600.443 |
| Monoisotopic Mass | 1599.56562 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](CO[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O)OC(O)[C@H]3O)O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=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]1O |
| WURCS | WURCS=2.0/4,9,8/[a1122h-1x_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-4-3-4-2-3-4/a3-b1_a6-g1_b2-c1_b4-e1_c4-d1_e4-f1_g4-h1_h4-i1 |
| InChI | InChI=1S/C60H101N3O46/c1-13(72)61-25-32(79)45(105-57-39(86)35(82)28(75)16(4-64)95-57)19(7-67)98-53(25)103-48-22(10-70)101-56(42(89)38(48)85)93-12-24-31(78)50(44(91)52(92)94-24)108-60-51(109-55-27(63-15(3)74)34(81)47(21(9-69)100-55)107-59-41(88)37(84)30(77)18(6-66)97-59)43(90)49(23(11-71)102-60)104-54-26(62-14(2)73)33(80)46(20(8-68)99-54)106-58-40(87)36(83)29(76)17(5-65)96-58/h16-60,64-71,75-92H,4-12H2,1-3H3,(H,61,72)(H,62,73)(H,63,74)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50+,51+,52?,53+,54+,55+,56+,57+,58+,59+,60-/m1/s1 |
| InChIKey | AMBNXLFGPMDYEY-OSVXLSEWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6S)-6-[[(2R,3R,4S,5S)-4-[(2R,3S,4S,5S,6R)-3,5-Bis[[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:151145) is a carbohydrates and carbohydrate derivatives (CHEBI:78616) |
| Synonyms | Source |
|---|---|
| beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-alpha-D-manno-hexopyranosyl-(1->6)]-D-manno-hexopyranose | SUBMITTER |
| Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-4)Man(a1-6)]Man | SUBMITTER |