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CHEBI:148475 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-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:148475
ChEBI Name(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-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
SubmitterGareth Owen
DownloadsMolfile
FormulaC39H65N3O29
Net Charge0
Average Mass1039.941
Monoisotopic Mass1039.37037
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)OC(O)[C@@H]3NC(C)=O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/4,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a3-b1_a6-e2_b4-c1_c3-d1
InChIInChI=1S/C39H65N3O29/c1-10(47)40-19-13(50)4-39(38(61)62,71-33(19)22(52)14(51)5-43)63-9-18-25(55)31(20(34(60)64-18)41-11(2)48)69-37-29(59)27(57)30(17(8-46)67-37)68-35-21(42-12(3)49)32(24(54)16(7-45)65-35)70-36-28(58)26(56)23(53)15(6-44)66-36/h13-37,43-46,50-60H,4-9H2,1-3H3,(H,40,47)(H,41,48)(H,42,49)(H,61,62)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27+,28+,29+,30-,31+,32+,33+,34?,35+,36-,37-,39+/m0/s1
InChIKeyDZALOQBBOIVZQA-NRORFWHQSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-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:148475) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Gal(b1-3)GalNAc(a1-4)Gal(b1-3)[NeuAc(a2-6)]GalNAcSUBMITTER
Manual XrefsDatabases
G25571LJGlyTouCan
G25571LJGlyGen