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CHEBI:61597 - [8)-α-Neu5Ac-(2→]6

ChEBI IDCHEBI:61597
ChEBI Name[8)-α-Neu5Ac-(2→]6
Stars
ASCII Name[8)-alpha-Neu5Ac-(2->]6
DefinitionAn N-acetylated α-(2→8)-linked homosialopolysaccharide consisting of six α-D-N-acetylneuraminyl residues joined by (2→8) linkages (i.e. [8)-α-Neu5Ac-(2→]n where n = 6).
Last Modified13 June 2011
SubmitterSteve
DownloadsMolfile
FormulaC66H104N6O49
Net Charge0
Average Mass1765.551
Monoisotopic Mass1764.58306
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@]2([H])O[C@@](O[C@H](CO)[C@@H](O)[C@]3([H])O[C@@](O[C@H](CO)[C@@H](O)[C@]4([H])O[C@@](O[C@H](CO)[C@@H](O)[C@]5([H])O[C@@](O[C@H](CO)[C@@H](O)[C@]6([H])O[C@@](O)(C(=O)O)C[C@H](O)[C@H]6NC(C)=O)(C(=O)O)C[C@H](O)[C@H]5NC(C)=O)(C(=O)O)C[C@H](O)[C@H]4NC(C)=O)(C(=O)O)C[C@H](O)[C@H]3NC(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
InChIInChI=1S/C66H104N6O49/c1-19(79)67-37-25(85)7-61(110,55(98)99)116-50(37)44(93)32(14-74)111-63(57(102)103)9-27(87)39(69-21(3)81)52(118-63)46(95)34(16-76)113-65(59(106)107)11-29(89)41(71-23(5)83)54(120-65)48(97)36(18-78)115-66(60(108)109)12-30(90)42(72-24(6)84)53(121-66)47(96)35(17-77)114-64(58(104)105)10-28(88)40(70-22(4)82)51(119-64)45(94)33(15-75)112-62(56(100)101)8-26(86)38(68-20(2)80)49(117-62)43(92)31(91)13-73/h25-54,73-78,85-97,110H,7-18H2,1-6H3,(H,67,79)(H,68,80)(H,69,81)(H,70,82)(H,71,83)(H,72,84)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,108,109)/t25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,61+,62+,63+,64+,65+,66+/m0/s1
InChIKeyQZDLNRIFYKAUMD-LMWMMHCLSA-N
ChEBI Ontology
Outgoing Relation(s)
[8)-α-Neu5Ac-(2→]6 (CHEBI:61597) is a [8)-α-Neu5Ac-(2→]n (CHEBI:61599)
[8)-α-Neu5Ac-(2→]6 (CHEBI:61597) is a amino hexasaccharide (CHEBI:61855)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acid
Synonyms  Source
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5AcChEBI
[α-Neu5Ac-(2→8)]6ChEBI
Citations