CHEBI:156866 - N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-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,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:156866
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C62H104N4O46
Net Charge 0
Average Mass 1641.496
Monoisotopic Mass 1640.59217
InChI InChI=1S/C62H104N4O46/c1-14(74)63-27-39(86)48(22(9-71)98-54(27)95)107-57-30(66-17(4)77)40(87)49(23(10-72)103-57)109-61-47(94)52(36(83)26(106-61)13-97-59-46(93)51(110-60-44(91)42(89)34(81)21(8-70)102-60)35(82)25(105-59)12-96-58-43(90)41(88)33(80)20(7-69)101-58)111-62-53(112-56-29(65-16(3)76)38(85)32(79)19(6-68)100-56)45(92)50(24(11-73)104-62)108-55-28(64-15(2)75)37(84)31(78)18(5-67)99-55/h18-62,67-73,78-95H,5-13H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)/t18-,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-,61+,62-/m1/s1
InChIKey ZHGLPUPVTOBWJA-JDMUIJNUSA-N
SMILES O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O)O[C@@H]([C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)CO)[C@@H]4O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)[C@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H](O)[C@H]8NC(=O)C)CO)[C@H](O)[C@@H]7O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9NC(=O)C)CO)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:156866) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[Man(a1-3)[Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc SUBMITTER
WURCS=2.0/3,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-1-1-3-3-3/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_d4-f1_g3-h1_g6-i1 SUBMITTER
Manual Xrefs Databases
G30588SI GlyTouCan
G30588SI GlyGen
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