ChEBI

CHEBI:155624 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-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-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-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 Name N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-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-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-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 ID CHEBI:155624 Stars This entity has been manually annotated by a third party. Submitter Gareth Owen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C60H101N3O43 Net Charge 0 Average Mass 1552.446 Monoisotopic Mass 1551.58088 InChI InChI=1S/C60H101N3O43/c1-13-28(72)36(80)41(85)55(91-13)103-48-27(63-18(6)71)54(98-23(11-68)46(48)101-60-51(40(84)32(76)20(8-65)96-60)106-57-43(87)38(82)30(74)15(3)93-57)104-49-34(78)24(99-58(44(49)88)102-47-26(62-17(5)70)52(89)94-21(9-66)33(47)77)12-90-53-25(61-16(4)69)35(79)45(22(10-67)97-53)100-59-50(39(83)31(75)19(7-64)95-59)105-56-42(86)37(81)29(73)14(2)92-56/h13-15,19-60,64-68,72-89H,7-12H2,1-6H3,(H,61,69)(H,62,70)(H,63,71)/t13-,14-,15-,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-/m0/s1 InChIKey RDVKPCFVICBGGH-NTSFWDPQSA-N SMILES O1[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@@H]3[C@@H](NC(=O)C)[C@H](O[C@@H]([C@@H]3O)CO)O)[C@@H]2O)CO[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)CO)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H]([C@@H](O)[C@@H](O)[C@@H]9O)C)CO)[C@H]1CO ChEBI Ontology Outgoing N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-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-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-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:155624) is a amino sugar (CHEBI:28963) Synonyms Sources 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose SUBMITTER Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)a-GalNAc SUBMITTER WURCS=2.0/4,9,8/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-4-3-2-4/a3-b1_b3-c1_b6-g1_c3-d1_c4-e1_e2-f1_g4-h1_h2-i1 SUBMITTER Manual Xrefs Databases G93636BY GlyTouCan G93636BY GlyGen View more database links