CHEBI:154763 - N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:154763
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C62H104N4O44
Net Charge 0
Average Mass 1609.498
Monoisotopic Mass 1608.60234
InChI InChI=1S/C62H104N4O44/c1-14-31(77)39(85)44(90)59(95-14)107-50-29(65-18(5)75)54(93)97-24(11-71)48(50)105-56-28(64-17(4)74)38(84)47(23(10-70)101-56)104-61-46(92)52(36(82)26(103-61)13-94-58-43(89)41(87)34(80)21(8-68)99-58)109-62-53(42(88)35(81)22(9-69)100-62)110-57-30(66-19(6)76)51(108-60-45(91)40(86)32(78)15(2)96-60)49(25(12-72)102-57)106-55-27(63-16(3)73)37(83)33(79)20(7-67)98-55/h14-15,20-62,67-72,77-93H,7-13H2,1-6H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t14-,15-,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+/m0/s1
InChIKey OPCKPYKCFDEMSV-CGNXGSPYSA-N
SMILES O([C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@H]1NC(=O)C)CO)[C@@H]4[C@@H](O[C@@H]5[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]7[C@H](O[C@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO)O)O[C@@H]6CO)O[C@@H]([C@H]5O)CO[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O)CO)O[C@@H]([C@@H](O)[C@@H]4O)CO
ChEBI Ontology
Outgoing N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:154763) is a amino sugar (CHEBI:28963)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
Fuc(a1-3)[GalNAc(b1-4)]GlcNAc(b1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)]b-GlcNAc SUBMITTER
WURCS=2.0/5,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-1-3-4-1-2-5-4/a3-b1_a4-c1_c4-d1_d3-e1_d6-i1_e2-f1_f3-g1_f4-h1 SUBMITTER
Manual Xrefs Databases
G90175OT GlyGen
G90175OT GlyTouCan
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