EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:78305 - [8)-α-Neu5Ac-(2→]5

ChEBI IDCHEBI:78305
ChEBI Name[8)-α-Neu5Ac-(2→]5
Stars
ASCII Name[8)-alpha-Neu5Ac-(2->]5
DefinitionAn N-acetylated α-(2→8)-linked homosialopolysaccharide consisting of five α-D-N-acetylneuraminyl residues joined by (2→8) linkages (i.e. [8)-α-Neu5Ac-(2→]n where n = 5).
Last Modified22 April 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC55H87N5O41
Net Charge0
Average Mass1474.295
Monoisotopic Mass1473.48765
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(=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/C55H87N5O41/c1-16(66)56-31-21(71)6-51(92,46(82)83)97-42(31)37(78)27(12-62)93-53(48(86)87)8-23(73)33(58-18(3)68)44(99-53)39(80)29(14-64)95-55(50(90)91)10-25(75)35(60-20(5)70)45(101-55)40(81)30(15-65)96-54(49(88)89)9-24(74)34(59-19(4)69)43(100-54)38(79)28(13-63)94-52(47(84)85)7-22(72)32(57-17(2)67)41(98-52)36(77)26(76)11-61/h21-45,61-65,71-81,92H,6-15H2,1-5H3,(H,56,66)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)/t21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,51+,52+,53+,54+,55+/m0/s1
InChIKeyOTKVNEDTPKWPFD-PFGYXDNQSA-N
ChEBI Ontology
Outgoing Relation(s)
[8)-α-Neu5Ac-(2→]5 (CHEBI:78305) is a [8)-α-Neu5Ac-(2→]n (CHEBI:61599)
[8)-α-Neu5Ac-(2→]5 (CHEBI:78305) is a amino pentasaccharide (CHEBI:59268)
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-ulopyranosonic acid
Synonyms  Source
oligosialic acid (DP5)ChEBI
[α-Neu5Ac-(2→8)]5ChEBI
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5AcChEBI
α2—8 linked pentasialic acidChEBI
Citations