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CHEBI:152093 - (2R,4S,5R,6R)-5-Acetamido-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]oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:152093
ChEBI Name(2R,4S,5R,6R)-5-Acetamido-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]oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H39NO18
Net Charge0
Average Mass617.554
Monoisotopic Mass617.21671
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2C[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5][ad112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2
InChIInChI=1S/C23H39NO18/c1-7(28)24-14-8(29)3-23(22(36)37,42-20(14)15(31)9(30)4-25)41-10-2-13(38-11(5-26)16(10)32)40-19-12(6-27)39-21(35)18(34)17(19)33/h8-21,25-27,29-35H,2-6H2,1H3,(H,24,28)(H,36,37)/t8-,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+,23+/m0/s1
InChIKeyZTRNLNFWTCHZEQ-GHTHSJFGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-5-Acetamido-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]oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:152093) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
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(a2-3)2-deoxy-D-lyxHex(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G57156ZZGlyGen
G57156ZZGlyTouCan