EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:151728 - (2S,4S,5R,6R)-4-Hydroxy-5-[(2-hydroxyacetyl)amino]-2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:151728
ChEBI Name(2S,4S,5R,6R)-4-Hydroxy-5-[(2-hydroxyacetyl)amino]-2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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@@](O[C@H]2[C@@H](O)[C@@H](CO)OC(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/a3-b2
InChIInChI=1S/C17H29NO15/c19-2-6(23)10(25)13-9(18-8(24)4-21)5(22)1-17(32-13,16(29)30)33-14-11(26)7(3-20)31-15(28)12(14)27/h5-7,9-15,19-23,25-28H,1-4H2,(H,18,24)(H,29,30)/t5-,6+,7+,9+,10+,11-,12+,13+,14-,15?,17-/m0/s1
InChIKeyXGGMLCCNKNCBRK-MEVVNLJXSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-4-Hydroxy-5-[(2-hydroxyacetyl)amino]-2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:151728) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-D-galacto-hexopyranoseSUBMITTER
NeuGc(a2-3)GalSUBMITTER
Manual XrefsDatabases
G53517XCGlyTouCan
G53517XCGlyGen