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CHEBI:148778 - (2S,4S,5R,6R)-2-[(3R,4R,5S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:148778
ChEBI Name(2S,4S,5R,6R)-2-[(3R,4R,5S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H39NO20
Net Charge0
Average Mass649.552
Monoisotopic Mass649.20654
SMILESO=C(CO)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](CO)OC(O)[C@@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1x_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][a2112h-1b_1-5]/1-2-3/a3-b2_a4-c1
InChIInChI=1S/C23H39NO20/c25-2-7(30)12(32)18-11(24-10(31)5-28)6(29)1-23(43-18,22(38)39)44-19-16(36)20(37)40-9(4-27)17(19)42-21-15(35)14(34)13(33)8(3-26)41-21/h6-9,11-21,25-30,32-37H,1-5H2,(H,24,31)(H,38,39)/t6-,7+,8+,9+,11+,12+,13-,14-,15+,16+,17-,18+,19+,20?,21-,23-/m0/s1
InChIKeyTWEMKPFTLDBHOB-WQYOEIFVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-2-[(3R,4R,5S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:148778) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-D-galacto-hexopyranoseSUBMITTER
NeuGc(a2-3)[Gal(b1-4)]GalSUBMITTER
Manual XrefsDatabases
G26789BEGlyTouCan