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CHEBI:140448 - nona-N-acetyl-β-D-glucosamine

ChEBI IDCHEBI:140448
ChEBI Namenona-N-acetyl-β-D-glucosamine
Stars
ASCII Namenona-N-acetyl-beta-D-glucosamine
DefinitionAn amino nonasaccharide consisting of nine (1→6)-linked N-acetyl-β-D-glucosamine residues; a synthetic oligosaccharide version of poly(N-acetyl-β-D-glucosamine) (PNAG).
Last Modified19 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC72H119N9O46
Net Charge0
Average Mass1846.761
Monoisotopic Mass1845.72492
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9NC(C)=O)[C@@H](O)[C@H](O)[C@H]8NC(C)=O)[C@@H](O)[C@H](O)[C@H]7NC(C)=O)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]1O
InChIInChI=1S/C72H119N9O46/c1-19(83)73-37-55(101)47(93)29(119-64(37)110)11-111-66-39(75-21(3)85)57(103)49(95)31(121-66)13-113-68-41(77-23(5)87)59(105)51(97)33(123-68)15-115-70-43(79-25(7)89)61(107)53(99)35(125-70)17-117-72-45(81-27(9)91)63(109)54(100)36(127-72)18-118-71-44(80-26(8)90)62(108)52(98)34(126-71)16-116-69-42(78-24(6)88)60(106)50(96)32(124-69)14-114-67-40(76-22(4)86)58(104)48(94)30(122-67)12-112-65-38(74-20(2)84)56(102)46(92)28(10-82)120-65/h28-72,82,92-110H,10-18H2,1-9H3,(H,73,83)(H,74,84)(H,75,85)(H,76,86)(H,77,87)(H,78,88)(H,79,89)(H,80,90)(H,81,91)/t28-,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-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1
InChIKeyFIGCMWLCRVTBTQ-SMFCIRJCSA-N
ChEBI Ontology
Outgoing Relation(s)
nona-N-acetyl-β-D-glucosamine (CHEBI:140448) has part [6)-β-D-GlcpNAc-(1→] residue (CHEBI:140449)
nona-N-acetyl-β-D-glucosamine (CHEBI:140448) has part N-acetyl-β-D-glucosaminyl group (CHEBI:55471)
nona-N-acetyl-β-D-glucosamine (CHEBI:140448) is a amino nonasaccharide (CHEBI:68818)
IUPAC Name 
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
N-acetyl-β-D-glucosaminyl-(1→6)-N-acetyl-β-D-glucosaminyl-(1→6)-N-acetyl-β-D-glucosaminyl-(1→6)-N-acetyl-β-D-glucosaminyl-(1→6)-N-acetyl-β-D-glucosaminyl-(1→6)-N-acetyl-β-D-glucosaminyl-(1→6)-N-acetyl-β-D-glucosaminyl-(1→6)-N-acetyl-β-D-glucosaminyl-(1→6)-N-acetyl-β-D-glucosamineChEBI
9GlcNAcChEBI
nona-N-acetyl-D-glucosamineChEBI
[GlcNAc-(1→6)-]8GlcNAcChEBI
GlcNAc-(1→6)-GlcNAc-(1→6)-GlcNAc-(1→6)-GlcNAc-(1→6)-GlcNAc-(1→6)-GlcNAc-(1→6)-GlcNAc-(1→6)-GlcNAc-(1→6)-GlcNAcIUPAC
GlcpNAc-(1→6)-GlcpNAc-(1→6)-GlcpNAc-(1→6)-GlcpNAc-(1→6)-GlcpNAc-(1→6)-GlcpNAc-(1→6)-GlcpNAc-(1→6)-GlcpNAc-(1→6)-GlcpNAcIUPAC
Citations