Penta-N-acetylchitopentaose

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Systematic / IUPAC Name: 2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-(2ξ)-2-acetamido-2-deoxy-D-arabino-hexose

ID: Reference6218

Other Names: N,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose ;
Chitinpentaose ;
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucose

Formula: C40H67N5O26

Class: Endogenous Metabolites

Spectral Data

Penta-N-acetylchitopentaose mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 2747
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/16/2017 3:09:07 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C40H67N5O26/c1-12(52)41-17(6-46)27(58)33(18(57)7-47)68-38-24(43-14(3)54)30(61)35(20(9-49)65-38)70-40-26(45-16(5)56)32(63)36(22(11-51)67-40)71-39-25(44-15(4)55)31(62)34(21(10-50)66-39)69-37-23(42-13(2)53)29(60)28(59)19(8-48)64-37/h6,17-40,47-51,57-63H,7-11H2,1-5H3,(H,41,52)(H,42,53)(H,43,54)(H,44,55)(H,45,56)/t17?,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+/m1/s1
InChI Key DPTYILOGADPXRZ-NFYHBMEESA-N
Canonical SMILES O[C@@H]1[C@@H](CO)O[C@](O[C@@H]2[C@@H](CO)O[C@](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@]4([H])[C@@H](CO)O[C@@H](O[C@@]([C@H](O)CO)([H])[C@H](O)C(NC(C)=O)C=O)[C@H](NC(C)=O)[C@H]4O)O[C@@H]3CO)([H])[C@H](NC(C)=O)[C@H]2O)([H])[C@H](NC(C)=O)[C@H]1O
CAS 36467682
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Other Names N,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose ;
Chitinpentaose ;
O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucose

In Other Databases

ChemSpider 32055568