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CHEBI:151942 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:151942
ChEBI Name(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H37NO18
Net Charge0
Average Mass603.527
Monoisotopic Mass603.20106
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a212h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2
InChIInChI=1S/C22H37NO18/c1-6(26)23-11-7(27)2-22(21(35)36,40-17(11)12(29)8(28)3-24)41-18-14(31)9(4-25)38-20(16(18)33)39-10-5-37-19(34)15(32)13(10)30/h7-20,24-25,27-34H,2-5H2,1H3,(H,23,26)(H,35,36)/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18-,19+,20-,22-/m0/s1
InChIKeyZXMIGQZTCOOWSP-CWBOKIKNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:151942) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-xylo-pentopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)b-XylSUBMITTER
Manual XrefsDatabases
G50375DLGlyTouCan
G50375DLGlyGen