Adenosine-5'-diphosphoglucose

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Systematic / IUPAC Name: {[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl} [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

ID: Reference1437

Other Names: Adenosine diphosphoglucose;
Adenosine pyrophosphateglucose;
ADP-glucose

Formula: C16H25N5O15P2

Class: Endogenous Metabolites

Spectral Data

Adenosine-5'-diphosphoglucose mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 335
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/18/2016 1:21:26 PM
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Identificators

InChI InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1
InChI Key WFPZSXYXPSUOPY-ROYWQJLOSA-N
Canonical SMILES
CAS 102129657
Splash
Other Names Adenosine diphosphoglucose;
Adenosine pyrophosphateglucose;
ADP-glucose

In Other Databases

ChemIDPlus 002140581
HMDb HMDB06557
ChEBI CHEBI:15751
ChEMBL CHEMBL227552
PubChem 16500
KEGG C00498
ChemSpider 21239431