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CHEBI:157375 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:157375
ChEBI Name(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
Last Modified10 February 2025
SubmitterGareth Owen
DownloadsMolfile
FormulaC45H75N3O34
Net Charge0
Average Mass1202.082
Monoisotopic Mass1201.42320
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@@H](O)[C@@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@@H]1O
WURCSWURCS=2.0/4,6,5/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-2-1-3-4/a3-b1_a6-f2_b3-c1_c3-d1_d3-e1
InChIInChI=1S/C45H75N3O34/c1-11(54)46-21-14(57)4-45(44(70)71,82-36(21)24(59)15(58)5-49)72-10-20-29(64)34(22(39(69)73-20)47-12(2)55)78-42-33(68)38(28(63)19(9-53)76-42)81-43-32(67)37(27(62)18(8-52)77-43)80-40-23(48-13(3)56)35(26(61)17(7-51)74-40)79-41-31(66)30(65)25(60)16(6-50)75-41/h14-43,49-53,57-69H,4-10H2,1-3H3,(H,46,54)(H,47,55)(H,48,56)(H,70,71)/t14-,15+,16+,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-,45+/m0/s1
InChIKeyXKYPLBNHPCNYRV-UOJMNMHFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:157375) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
Gal(a1-3)GalNAc(a1-3)Gal(b1-3)Gal(b1-3)[NeuAc(a2-6)]a-GalNAcSUBMITTER
α-D-galacto-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galacto-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→6)]-2-acetamido-2-deoxy-α-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G35437KGGlyGen
G35437KGGlyTouCan