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CHEBI:151752 - (2S,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,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-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:151752
ChEBI Name(2S,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,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-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC51H85N3O40
Net Charge0
Average Mass1380.222
Monoisotopic Mass1379.47093
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)[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=2.0/4,7,6/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2-3-2-4-3-2/a4-b1_b4-c1_c3-d1_d3-e2_d4-f1_f3-g1
InChIInChI=1S/C51H85N3O40/c1-12(63)52-24-41(29(71)17(6-57)83-45(24)88-38-20(9-60)86-48(35(77)32(38)74)89-37-19(8-59)82-44(79)33(75)31(37)73)92-49-36(78)43(94-51(50(80)81)3-14(65)23(54-22(67)11-62)42(93-51)26(68)15(66)4-55)39(21(10-61)87-49)90-46-25(53-13(2)64)40(28(70)18(7-58)84-46)91-47-34(76)30(72)27(69)16(5-56)85-47/h14-21,23-49,55-62,65-66,68-79H,3-11H2,1-2H3,(H,52,63)(H,53,64)(H,54,67)(H,80,81)/t14-,15+,16+,17+,18+,19+,20+,21+,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-,51-/m0/s1
InChIKeyLWUKZZVBFCIDIY-QCRCEIPVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,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-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:151752) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-3)GalNAc(b1-4)[NeuGc(a2-3)]Gal(b1-3)GalNAc(b1-4)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G53809EFGlyTouCan
G53809EFGlyGen