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CHEBI:143625 - α-D-NeuNAc-(2→9)-α-D-NeuNAc

ChEBI IDCHEBI:143625
ChEBI Nameα-D-NeuNAc-(2→9)-α-D-NeuNAc
Stars
ASCII Namealpha-D-NeuNAc-(2->9)-alpha-D-NeuNAc
DefinitionAn amino disaccharide consisting of two α(2→9)-linked sialic acid units; corresponds to the repeating unit in the group C polysaccharide of Neisseria meningitidis (MenC).
Last Modified24 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H36N2O17
Net Charge0
Average Mass600.527
Monoisotopic Mass600.20140
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@@H](O)[C@@H](O)[C@]2([H])O[C@@](O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/1,2,1/[Aad21122h-2a_2-6_5*NCC/3=O]/1-1/a9-b2
InChIInChI=1S/C22H36N2O17/c1-7(26)23-13-9(28)3-21(38,19(34)35)40-17(13)16(33)12(31)6-39-22(20(36)37)4-10(29)14(24-8(2)27)18(41-22)15(32)11(30)5-25/h9-18,25,28-33,38H,3-6H2,1-2H3,(H,23,26)(H,24,27)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,21+,22+/m0/s1
InChIKeyNDVPOLIHSIQAGT-VCVJBUKQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
α-D-NeuNAc-(2→9)-α-D-NeuNAc (CHEBI:143625) is a acetamides (CHEBI:22160)
α-D-NeuNAc-(2→9)-α-D-NeuNAc (CHEBI:143625) is a amino disaccharide (CHEBI:22480)
α-D-NeuNAc-(2→9)-α-D-NeuNAc (CHEBI:143625) is a dicarboxylic acid (CHEBI:35692)
IUPAC Names 
5-acetamido-9-O-(5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl)-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acid
NeuAc(a2-9)a-NeuAc
Synonyms  Source
α-NeuNAc-(2→9)-α-NeuNAcChEBI
α-Neu5Ac-(2→9)-α-Neu5AcChEBI
α-D-Neu5Ac-(2→9)-α-D-Neu5AcChEBI
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→9)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acidIUPAC
Manual XrefsDatabases
G56026PAGlyTouCan
G56026PAGlyGen
Citations