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CHEBI:149010 - β-D-Galp-(1→9)-Neup5Ac

ChEBI IDCHEBI:149010
ChEBI Nameβ-D-Galp-(1→9)-Neup5Ac
Stars
ASCII Namebeta-D-Galp-(1->9)-Neup5Ac
DefinitionA member of the class of neuraminic acids that is N-acetylneuraminic acid in which the hydroxy group at position 9 has been glycosylated by a β-D-galactopyranosyl group.
Last Modified7 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H29NO14
Net Charge0
Average Mass471.412
Monoisotopic Mass471.15880
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/2,2,1/[Aad21122h-2x_2-6_5*NCC/3=O][a2112h-1b_1-5]/1-2/a9-b1
InChIInChI=1S/C17H29NO14/c1-5(20)18-9-6(21)2-17(29,16(27)28)32-14(9)10(23)7(22)4-30-15-13(26)12(25)11(24)8(3-19)31-15/h6-15,19,21-26,29H,2-4H2,1H3,(H,18,20)(H,27,28)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,17?/m0/s1
InChIKeyLLYXMPQBDSEPCB-JVJURXPUSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→9)-Neup5Ac (CHEBI:149010) has functional parent N-acetylneuraminic acid (CHEBI:17012)
β-D-Galp-(1→9)-Neup5Ac (CHEBI:149010) is a neuraminic acids (CHEBI:25508)
β-D-Galp-(1→9)-Neup5Ac (CHEBI:149010) is a β-D-galactoside (CHEBI:28034)
IUPAC Names 
Gal(b1-9)NeuAc
5-acetamido-3,5-dideoxy-9-O-β-D-galactopyranosyl-D-glycero-D-galacto-non-2-ulopyranosonic acid
Synonyms  Source
β-D-galacto-hexopyranosyl-(1→9)-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acidIUPAC
(4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,4-dihydroxyoxane-2-carboxylic acidIUPAC
Manual XrefsDatabases
G27749HZGlyTouCan
G10282KEGG GLYCAN
G27749HZGlyGen