P1,P4-Bis(5'-guanosyl) tetraphosphate

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Systematic / IUPAC Name: [({[5-(2-Amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl}oxy-hydroxy-phosphoryl)oxy-hydroxy-phosphoryl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate

ID: Reference533

Other Names: (PPG)2;
Bis(guanylyl) diphosphate;
Diguanosine tetraphosphate

Formula: C20H28N10O21P4

Class: Endogenous Metabolites

Spectral Data

P1,P4-Bis(5'-guanosyl) tetraphosphate 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 205
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 1:34:03 PM
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Identificators

InChI InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
InChI Key OLGWXCQXRSSQPO-MHARETSRSA-N
Canonical SMILES O=C6/N=C(/N)Nc1c6ncn1C2OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5OC(n3cnc4c3NC(=N/C4=O)\N)C(O)C5O
CAS 4130192
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Other Names (PPG)2;
Bis(guanylyl) diphosphate;
Diguanosine tetraphosphate

In Other Databases

ChEMBL CHEMBL448348
ChEBI CHEBI:15883
HMDb HMDB01340
ChemSpider 144813
KEGG C01261
PubChem 165186
ChemIDPlus 004130192