Dataset

ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS016605 contains the MS2 mass spectrum of ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG with the InChIkey WFPZSXYXPSUOPY-UHFFFAOYSA-N.

Chemical Info

molecular Image
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)
SMILES C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O
InChI Key WFPZSXYXPSUOPY-UHFFFAOYSA-N
Molecular Formula C16H25N5O15P2
Exact Mass 589.348 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS016605
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:22:07.360260
MetadataModified 2025-02-09T19:06:30.015034
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD043142 ProbesDrugs
60023386 NMRShiftDB
SCHEMBL22402603 SureChEMBL
198 PubChem
The data in this table is sourced from UniChem at EBI.