CHEBI:149010 - β-D-Galp-(1→9)-Neup5Ac

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ChEBI Name β-D-Galp-(1→9)-Neup5Ac
ChEBI ID CHEBI:149010
ChEBI ASCII Name beta-D-Galp-(1->9)-Neup5Ac
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
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Formula C17H29NO14
Net Charge 0
Average Mass 471.412
Monoisotopic Mass 471.15880
InChI InChI=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
InChIKey LLYXMPQBDSEPCB-JVJURXPUSA-N
SMILES O1[C@H]([C@H](NC(=O)C)[C@@H](O)CC1(O)C(O)=O)[C@H](O)[C@H](O)CO[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO
ChEBI Ontology
Outgoing 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 β-D-galactoside (CHEBI:28034)
β-D-Galp-(1→9)-Neup5Ac (CHEBI:149010) is a neuraminic acids (CHEBI:25508)
IUPAC Names
5-acetamido-3,5-dideoxy-9-O-β-D-galactopyranosyl-D-glycero-D-galacto-non-2-ulopyranosonic acid
Gal(b1-9)NeuAc
Synonyms Sources
(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 acid IUPAC
β-D-galacto-hexopyranosyl-(1→9)-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid IUPAC
WURCS=2.0/2,2,1/[Aad21122h-2x_2-6_5*NCC/3=O][a2112h-1b_1-5]/1-2/a9-b1 SUBMITTER
Manual Xrefs Databases
G10282 KEGG GLYCAN
G27749HZ GlyTouCan
G27749HZ GlyGen
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Last Modified
07 May 2020