CHEBI:157426 - N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:157426
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C82H137N5O59
Net Charge 0
Average Mass 2136.974
Monoisotopic Mass 2135.78736
InChI InChI=1S/C82H137N5O59/c1-18-40(102)52(114)57(119)77(125-18)145-69-67(143-73-35(83-20(3)97)48(110)42(104)25(8-88)128-73)46(108)28(11-91)131-81(69)140-63-33(16-96)134-74(37(51(63)113)85-22(5)99)141-65-39(87-24(7)101)76(129-26(9-89)44(65)106)144-68-47(109)29(12-92)132-82(70(68)146-78-58(120)53(115)41(103)19(2)126-78)139-62-31(14-94)133-72(36(49(62)111)84-21(4)98)124-17-34-43(105)54(116)59(121)79(136-34)137-61-32(15-95)135-75(38(50(61)112)86-23(6)100)142-66-45(107)27(10-90)130-80(60(66)122)138-64-30(13-93)127-71(123)56(118)55(64)117/h18-19,25-82,88-96,102-123H,8-17H2,1-7H3,(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,101)/t18-,19-,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+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70+,71?,72+,73+,74-,75-,76+,77-,78-,79?,80-,81-,82-/m0/s1
InChIKey VPNQIIWSCRJNDN-IFXZYKFSSA-N
SMILES O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)OCC5OC(O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@@H]7[C@@H](O)[C@@H](O[C@@H]([C@@H]7O)CO)O[C@H]8[C@H](O)[C@@H](O)C(O[C@@H]8CO)O)C(O)C(O)C5O)O[C@@H]([C@@H]1O)CO)[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O[C@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11NC(=O)C)CO)[C@H]%10O[C@@H]%12O[C@H]([C@@H](O)[C@@H](O)[C@@H]%12O)C)CO)[C@H](O)[C@H]9NC(=O)C)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:157426) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-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)-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose SUBMITTER
Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)GalNAc(a1-3)[Fuc(a1-2)]Gal(b1-4)GlcNAc(b1-6)Hex(?1-4)GlcNAc(b1-3)Gal(b1-4)Glc SUBMITTER
WURCS=2.0/6,12,11/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][axxxxh-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-3-2-5-6-3-2-5-6/a4-b1_b3-c1_c4-d1_d6-e1_e4-f1_f2-g1_f3-h1_h3-i1_i4-j1_j2-k1_j3-l1 SUBMITTER
Manual Xrefs Databases
G50378AV GlyTouCan
G50378AV GlyGen
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