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CHEBI:153017 - (4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R)-5-acetamido-6-[(2R,3R,4S,5R)-2-[[(3R,4R,5S,6R)-3-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:153017
ChEBI Name(4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R)-5-acetamido-6-[(2R,3R,4S,5R)-2-[[(3R,4R,5S,6R)-3-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC57H95N3O43
Net Charge0
Average Mass1510.365
Monoisotopic Mass1509.53393
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(O[C@H]2[C@H](OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](NC(C)=O)C(O[C@H]3[C@H](O)[C@@H](COC4O[C@H](CO)[C@@H](O)[C@H](OC5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5OC5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)OC(O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@@H]2CO)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/5,8,7/[a2122h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCC/3=O][a1221m-1x_1-5]/1-1-2-3-4-2-3-5/a4-b1_b3-c1_b6-f1_c3-d1_c4-e2_f3-g1_g2-h1
InChIInChI=1S/C57H95N3O43/c1-13-28(72)34(78)39(83)52(90-13)101-48-36(80)31(75)20(8-63)94-55(48)98-44-26(59-15(3)68)50(92-21(9-64)32(44)76)89-12-24-33(77)47(41(85)54(96-24)97-42-22(10-65)91-49(86)38(82)37(42)81)100-51-27(60-16(4)69)46(99-53-40(84)35(79)30(74)19(7-62)93-53)43(23(11-66)95-51)102-57(56(87)88)5-17(70)25(58-14(2)67)45(103-57)29(73)18(71)6-61/h13,17-55,61-66,70-86H,5-12H2,1-4H3,(H,58,67)(H,59,68)(H,60,69)(H,87,88)/t13-,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+,44+,45+,46+,47-,48+,49?,50?,51?,52?,53?,54?,55?,57?/m0/s1
InChIKeyQFJJCGKQAZAESL-HSDHZMNSSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R)-5-acetamido-6-[(2R,3R,4S,5R)-2-[[(3R,4R,5S,6R)-3-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:153017) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)-[D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->4)]-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)]-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranoseSUBMITTER
Fuc(?1-2)Gal(?1-3)GlcNAc(?1-6)[Gal(?1-3)[NeuAc(?2-4)]GlcNAc(?1-3)]Glc(?1-4)GlcSUBMITTER
Manual XrefsDatabases
G65192DLGlyGen
G65192DLGlyTouCan