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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2023-02-21 17:15:30 UTC

HMDB ID

HMDB0001182

Secondary Accession Numbers

HMDB01182

Metabolite Identification

Common Name

6,8-Dihydroxypurine

Description

6,8-Dihydroxypurine is an endogenous nucleoside found in human fluids. Purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls. DNA hypermethylation is a common finding in malignant cells and has been explored as a therapeutic target for hypomethylating agents. When chemical bonds to DNA, the DNA becomes damaged and proper and complete replication cannot occur to make the normal intended cell. A DNA adduct is an abnormal piece of DNA covalently-bonded to a cancer-causing chemical. This has shown to be the start of a cancerous cell, or carcinogenesis. DNA adducts in scientific experiments are used as bio-markers and as such are themselves measured to reflect quantitatively, for comparison, the amount of cancer in the subject. (PMID: 3506820 , 17044778 , 17264127 , 16799933 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
6,8-Purinediol	HMDB
7,9-Dihydro-1H-purine-6,8-dione	HMDB
7,9-Dihydro-8H-purin-8-one	HMDB
8-Oxohypoxanthine	HMDB
Purine-6,8(1H,9H)-dione	HMDB
Purine-6,8-diol	HMDB
Purine-6,8-dione	HMDB

Chemical Formula

C₅H₄N₄O₂

Average Molecular Weight

152.1109

Monoisotopic Molecular Weight

152.033425392

IUPAC Name

6,7,8,9-tetrahydro-3H-purine-6,8-dione

Traditional Name

7,9-dihydro-3H-purine-6,8-dione

CAS Registry Number

13231-00-0

SMILES

O=C1NC2=C(N1)C(=O)N=CN2

InChI Identifier

InChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11)

InChI Key

BYUOBSUZYQAFJM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hypoxanthines. Hypoxanthines are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Imidazopyrimidines

Sub Class

Purines and purine derivatives

Direct Parent

Hypoxanthines

Alternative Parents

Substituents

6-oxopurine
Hypoxanthine
Pyrimidone
Pyrimidine
Azole
Imidazole
Heteroaromatic compound
Vinylogous amide
Urea
Azacycle
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0001182)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.17 mg/mL at 20 °C	Not Available
LogP	0.246	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.75 g/L	ALOGPS
logP	-1	ALOGPS
logP	-1.6	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	7.63	ChemAxon
pKa (Strongest Basic)	-1.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	82.59 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	44.32 m³·mol⁻¹	ChemAxon
Polarizability	12.68 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	130.677	31661259
DarkChem	[M-H]-	128.095	31661259
AllCCS	[M+H]+	131.569	32859911
AllCCS	[M-H]-	125.707	32859911
DeepCCS	[M+H]+	132.138	30932474
DeepCCS	[M-H]-	129.458	30932474
DeepCCS	[M-2H]-	166.072	30932474
DeepCCS	[M+Na]+	141.238	30932474
AllCCS	[M+H]+	131.6	32859911
AllCCS	[M+H-H2O]+	126.9	32859911
AllCCS	[M+NH4]+	135.9	32859911
AllCCS	[M+Na]+	137.2	32859911
AllCCS	[M-H]-	125.7	32859911
AllCCS	[M+Na-2H]-	126.6	32859911
AllCCS	[M+HCOO]-	127.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6,8-Dihydroxypurine	O=C1NC2=C(N1)C(=O)N=CN2	2609.9	Standard polar	33892256
6,8-Dihydroxypurine	O=C1NC2=C(N1)C(=O)N=CN2	1883.7	Standard non polar	33892256
6,8-Dihydroxypurine	O=C1NC2=C(N1)C(=O)N=CN2	2147.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6,8-Dihydroxypurine,1TMS,isomer #1	C[Si](C)(C)N1C(=O)[NH]C2=C1[NH]C=NC2=O	1871.6	Semi standard non polar	33892256
6,8-Dihydroxypurine,1TMS,isomer #1	C[Si](C)(C)N1C(=O)[NH]C2=C1[NH]C=NC2=O	2011.6	Standard non polar	33892256
6,8-Dihydroxypurine,1TMS,isomer #1	C[Si](C)(C)N1C(=O)[NH]C2=C1[NH]C=NC2=O	2900.3	Standard polar	33892256
6,8-Dihydroxypurine,1TMS,isomer #2	C[Si](C)(C)N1C(=O)[NH]C2=C1C(=O)N=C[NH]2	1895.8	Semi standard non polar	33892256
6,8-Dihydroxypurine,1TMS,isomer #2	C[Si](C)(C)N1C(=O)[NH]C2=C1C(=O)N=C[NH]2	1968.8	Standard non polar	33892256
6,8-Dihydroxypurine,1TMS,isomer #2	C[Si](C)(C)N1C(=O)[NH]C2=C1C(=O)N=C[NH]2	2750.6	Standard polar	33892256
6,8-Dihydroxypurine,1TMS,isomer #3	C[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)[NH]2	1948.5	Semi standard non polar	33892256
6,8-Dihydroxypurine,1TMS,isomer #3	C[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)[NH]2	2045.4	Standard non polar	33892256
6,8-Dihydroxypurine,1TMS,isomer #3	C[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)[NH]2	2824.1	Standard polar	33892256
6,8-Dihydroxypurine,2TMS,isomer #1	C[Si](C)(C)N1C(=O)N([Si](C)(C)C)C2=C1[NH]C=NC2=O	1928.7	Semi standard non polar	33892256
6,8-Dihydroxypurine,2TMS,isomer #1	C[Si](C)(C)N1C(=O)N([Si](C)(C)C)C2=C1[NH]C=NC2=O	2077.8	Standard non polar	33892256
6,8-Dihydroxypurine,2TMS,isomer #1	C[Si](C)(C)N1C(=O)N([Si](C)(C)C)C2=C1[NH]C=NC2=O	2416.7	Standard polar	33892256
6,8-Dihydroxypurine,2TMS,isomer #2	C[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C)C(=O)[NH]2	1889.7	Semi standard non polar	33892256
6,8-Dihydroxypurine,2TMS,isomer #2	C[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C)C(=O)[NH]2	2168.3	Standard non polar	33892256
6,8-Dihydroxypurine,2TMS,isomer #2	C[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C)C(=O)[NH]2	2515.6	Standard polar	33892256
6,8-Dihydroxypurine,2TMS,isomer #3	C[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)N2[Si](C)(C)C	1928.4	Semi standard non polar	33892256
6,8-Dihydroxypurine,2TMS,isomer #3	C[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)N2[Si](C)(C)C	2129.3	Standard non polar	33892256
6,8-Dihydroxypurine,2TMS,isomer #3	C[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)N2[Si](C)(C)C	2438.3	Standard polar	33892256
6,8-Dihydroxypurine,3TMS,isomer #1	C[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C	2058.5	Semi standard non polar	33892256
6,8-Dihydroxypurine,3TMS,isomer #1	C[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C	2178.7	Standard non polar	33892256
6,8-Dihydroxypurine,3TMS,isomer #1	C[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C	2223.6	Standard polar	33892256
6,8-Dihydroxypurine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)[NH]C2=C1[NH]C=NC2=O	2073.5	Semi standard non polar	33892256
6,8-Dihydroxypurine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)[NH]C2=C1[NH]C=NC2=O	2234.5	Standard non polar	33892256
6,8-Dihydroxypurine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)[NH]C2=C1[NH]C=NC2=O	2886.3	Standard polar	33892256
6,8-Dihydroxypurine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C(=O)[NH]C2=C1C(=O)N=C[NH]2	2108.1	Semi standard non polar	33892256
6,8-Dihydroxypurine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C(=O)[NH]C2=C1C(=O)N=C[NH]2	2196.8	Standard non polar	33892256
6,8-Dihydroxypurine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C(=O)[NH]C2=C1C(=O)N=C[NH]2	2764.3	Standard polar	33892256
6,8-Dihydroxypurine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)[NH]2	2199.2	Semi standard non polar	33892256
6,8-Dihydroxypurine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)[NH]2	2272.0	Standard non polar	33892256
6,8-Dihydroxypurine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)[NH]2	2855.5	Standard polar	33892256
6,8-Dihydroxypurine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)C2=C1[NH]C=NC2=O	2231.6	Semi standard non polar	33892256
6,8-Dihydroxypurine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)C2=C1[NH]C=NC2=O	2449.2	Standard non polar	33892256
6,8-Dihydroxypurine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)C2=C1[NH]C=NC2=O	2488.0	Standard polar	33892256
6,8-Dihydroxypurine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C(C)(C)C)C(=O)[NH]2	2307.5	Semi standard non polar	33892256
6,8-Dihydroxypurine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C(C)(C)C)C(=O)[NH]2	2565.0	Standard non polar	33892256
6,8-Dihydroxypurine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C(C)(C)C)C(=O)[NH]2	2570.7	Standard polar	33892256
6,8-Dihydroxypurine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)N2[Si](C)(C)C(C)(C)C	2358.2	Semi standard non polar	33892256
6,8-Dihydroxypurine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)N2[Si](C)(C)C(C)(C)C	2512.8	Standard non polar	33892256
6,8-Dihydroxypurine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1[NH]C(=O)N2[Si](C)(C)C(C)(C)C	2516.3	Standard polar	33892256
6,8-Dihydroxypurine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C	2520.9	Semi standard non polar	33892256
6,8-Dihydroxypurine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C	2742.6	Standard non polar	33892256
6,8-Dihydroxypurine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C	2499.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Dihydroxypurine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0zi1-6900000000-b597900216a7c18ff4ec	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Dihydroxypurine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Dihydroxypurine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 10V, Positive-QTOF	splash10-0udi-0900000000-73408e2a019cf6145389	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 20V, Positive-QTOF	splash10-0udi-0900000000-4ec7e27bd75758d5243d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 40V, Positive-QTOF	splash10-000x-9400000000-4b36792f2a9b31c0e39f	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 10V, Negative-QTOF	splash10-0udi-0900000000-0c74ea3af474d10b7ea8	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 20V, Negative-QTOF	splash10-0udi-0900000000-30080f0e6c244018af86	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 40V, Negative-QTOF	splash10-053u-9600000000-23699c571e13d9a8c982	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 10V, Positive-QTOF	splash10-0udi-0900000000-ac450658003af6c0a109	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 20V, Positive-QTOF	splash10-0udi-0900000000-00ec07b7bda30887c327	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 40V, Positive-QTOF	splash10-05ai-9200000000-f8c6511273a5bfd31f74	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 10V, Negative-QTOF	splash10-0udi-0900000000-757517510c89a3191171	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 20V, Negative-QTOF	splash10-0fk9-2900000000-b1f56627b7499b83ee76	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Dihydroxypurine 40V, Negative-QTOF	splash10-0006-9000000000-5b696d1d5422470c88ea	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112171

KNApSAcK ID

Not Available

Chemspider ID

75117

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

83252

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Ohtsuka, Yozo; Sugimoto, Kikuo. Oxazolopyrimidines. III. Formation of 6,8-dihydroxypurine by the oxidation of 7-aminooxazolo[5,4-d]pyrimidine with hydrogen peroxide-acetic acid. Bulletin of the Chemical Society of Japan (1970), 43(7), 2281.

Material Safety Data Sheet (MSDS)

Not Available

General References

Davies RJ: Complexes of poly(adenylic acid) with complementary monomers. Eur J Biochem. 1976 Jan 2;61(1):225-36. [PubMed:1245184 ]
TRICERRI S, BRASCHI A: [Quantitative spectrophotometric determination of 6-hydroxypurine in the presence of 2, 6-dihydroxypurine]. Farmaco Sci. 1957;12(1):28-33. [PubMed:13414872 ]
Smith M, Sullivan C: Germination of Clostridium cylindrosporum Spores on Medium Containing Uric Acid. Appl Environ Microbiol. 1989 Jun;55(6):1380-5. [PubMed:16347931 ]
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Showing metabocard for 6,8-Dihydroxypurine (HMDB0001182)

MOL for HMDB0001182 (6,8-Dihydroxypurine)

3D MOL for HMDB0001182 (6,8-Dihydroxypurine)

3D SDF for HMDB0001182 (6,8-Dihydroxypurine)

3D-SDF for HMDB0001182 (6,8-Dihydroxypurine)

PDB for HMDB0001182 (6,8-Dihydroxypurine)

3D PDB for HMDB0001182 (6,8-Dihydroxypurine)

SMILES for HMDB0001182 (6,8-Dihydroxypurine)

INCHI for HMDB0001182 (6,8-Dihydroxypurine)

Structure for HMDB0001182 (6,8-Dihydroxypurine)

3D Structure for HMDB0001182 (6,8-Dihydroxypurine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra