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CHEBI:154844 - (2R,4S,5R,6R)-5-Acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-2-[(2R,3R,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:154844
ChEBI Name(2R,4S,5R,6R)-5-Acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-2-[(2R,3R,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H56N2O26
Net Charge0
Average Mass908.810
Monoisotopic Mass908.31213
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@@H]2O[C@@](O[C@@H]3C[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@H](CO)[C@@H]3O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a2122h-1b_1-5][ad112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-3/a4-b1_b3-c2_c8-d2
InChIInChI=1S/C34H56N2O26/c1-10(41)35-20-12(43)5-34(32(54)55,61-28(20)22(46)14(45)6-37)60-17(8-39)24(48)29-21(36-11(2)42)13(44)4-33(62-29,31(52)53)59-15-3-19(56-16(7-38)23(15)47)58-27-18(9-40)57-30(51)26(50)25(27)49/h12-30,37-40,43-51H,3-9H2,1-2H3,(H,35,41)(H,36,42)(H,52,53)(H,54,55)/t12-,13-,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,33+,34+/m0/s1
InChIKeyXNBNWXVQTVIROX-NFIASYQDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-5-Acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-2-[(2R,3R,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxyoxane-2-carboxylic acid (CHEBI:154844) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-2-deoxy-beta-D-lyxo-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-8)NeuAc(a2-3)2-deoxy-D-lyxHex(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G90543HBGlyGen
G90543HBGlyTouCan