Isoxanthopterin

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Systematic / IUPAC Name: 2-Amino-1,8-dihydropteridine-4,7-dione

ID: Reference456

Other Names: 2-Amino-4,7-dihydroxypteridine;
2-Aminopteridine-4,7-diol;
2-Amino-4,7-pteridinediol;
4,7(3H,8H)-Pteridinedione, 2-amino-;
2-Amino-4,7(3H,8H)-pteridinedione ; more

Formula: C6H5N5O2

Class: Endogenous Metabolites

Spectral Data

Isoxanthopterin 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 2
No. of Spectra 330
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 1/22/2015 11:04:18 AM
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Identificators

InChI InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
InChI Key GLKCOBIIZKYKFN-UHFFFAOYSA-N
Canonical SMILES C1=NC2=C(NC1=O)NC(=NC2=O)N
CAS 529691
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Other Names 2-Amino-4,7-dihydroxypteridine;
2-Aminopteridine-4,7-diol;
2-Amino-4,7-pteridinediol;
4,7(3H,8H)-Pteridinedione, 2-amino-;
2-Amino-4,7(3H,8H)-pteridinedione;
4,7(1H,8H)-Pteridinedione, 2-amino-;
2-Amino-3H,8H-pteridine-4,7-dione;
2-Amino-1,4,7,8-tetrahydropteridine-4,7-dione;
2-Amino-4,7-dihydroxy-1,3,5,8-tetraazanaphthalene

In Other Databases

ChEMBL CHEMBL464251
PubChem 10729
ChemIDPlus 000529691
HMDb HMDB00704
ChEBI CHEBI:16713
ChemSpider 10277
KEGG C03975