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CHEBI:150668 - (2R,4S,5R,6R)-4-Hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:150668
ChEBI Name(2R,4S,5R,6R)-4-Hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H29NO15
Net Charge0
Average Mass487.411
Monoisotopic Mass487.15372
SMILESO=C(CO)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1x_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2/a6-b2
InChIInChI=1S/C17H29NO15/c19-2-6(22)10(24)14-9(18-8(23)3-20)5(21)1-17(33-14,16(29)30)31-4-7-11(25)12(26)13(27)15(28)32-7/h5-7,9-15,19-22,24-28H,1-4H2,(H,18,23)(H,29,30)/t5-,6+,7+,9+,10+,11-,12-,13+,14+,15?,17+/m0/s1
InChIKeyAYTXXFXYDOYALC-LIGINOLRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-4-Hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:150668) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-D-galacto-hexopyranoseSUBMITTER
NeuGc(a2-6)GalSUBMITTER
Manual XrefsDatabases
G39807DFGlyTouCan
G39807DFGlyGen