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Hypoxanthine
SpectraBase Compound ID ENJD5dH2Q86
InChI InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey FDGQSTZJBFJUBT-UHFFFAOYSA-N
Mol Weight 136.11 g/mol
Molecular Formula C5H4N4O
Exact Mass 136.038511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 122PAga12iI
Name Hypoxanthine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 184856-40-4 25991-07-5 25991-08-6 25991-09-7 39464-15-8 39464-17-0 480-99-9 6535-89-3 68-94-0
ChEBI ID 17368
Comments 100 mM hypoxanthine - vendor: Sigma h9377; Solvent: D2O; Temperature=298 K, pH=10.5; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C5H4N4O
IUPAC Name 3,7-dihydropurin-6-one
InChI InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey FDGQSTZJBFJUBT-UHFFFAOYSA-N
KEGG Compound ID C00262
KEGG Pathways PATH: map00230 Purine metabolism
PubChem Compound ID 790
SMILES C1=NC2=C(N1)C(=O)N=CN2
Source File Reference bmse000094