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CHEBI:157149 - (2R,4S,5R,6R)-4-Hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:157149
ChEBI Name(2R,4S,5R,6R)-4-Hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]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@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2-3/a4-b1_b6-c2
InChIInChI=1S/C23H39NO20/c25-2-7(29)12(31)19-11(24-10(30)4-27)6(28)1-23(44-19,22(38)39)40-5-9-13(32)14(33)17(36)21(42-9)43-18-8(3-26)41-20(37)16(35)15(18)34/h6-9,11-21,25-29,31-37H,1-5H2,(H,24,30)(H,38,39)/t6-,7+,8+,9+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20+,21-,23+/m0/s1
InChIKeyZTJGCQSXAMNQNC-PBICOICSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-4-Hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid (CHEBI:157149) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
NeuGc(a2-6)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G82385GEGlyGen
G82385GEGlyTouCan