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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-07-22 19:49:04 UTC

Update Date

2023-02-21 17:30:20 UTC

HMDB ID

HMDB0061120

Secondary Accession Numbers

HMDB61120

Metabolite Identification

Common Name

3-Hydroxy-4-aminopyridine sulfate

Description

3-Hydroxy-4-aminopyridine sulfate is a metabolite of dalfampridine. 4-Aminopyridine (fampridine, dalfampridine) is an organic compound with the chemical formula C5H4N–NH2. The molecule is one of the three isomeric amines of pyridine. It is used primarily as a research tool, in characterizing subtypes of potassium channel, and has also been used to manage some of the symptoms of multiple sclerosis, and is indicated for symptomatic improvement of walking in adults with several variations of the disease. (Wikipedia)

Structure

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

HEADER    PROTEIN                                 22-JUL-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-JUL-13         0                                  
HETATM    1  C   UNK     0      -8.470  -0.495   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -9.804  -1.265   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.804  -2.805   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -8.470  -3.575   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -7.136  -2.805   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.136  -1.265   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -5.803  -0.495   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      -8.470   1.045   0.000  0.00  0.00           N+0
HETATM    9  S   UNK     0      -4.263  -0.495   0.000  0.00  0.00           S+0
HETATM   10  O   UNK     0      -4.263   1.045   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -4.263  -2.035   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -2.723  -0.495   0.000  0.00  0.00           O+0
CONECT    1    2    6    8                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    9                                                       
CONECT    8    1                                                            
CONECT    9    7   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-Hydroxy-4-aminopyridine sulfuric acid	Generator
3-Hydroxy-4-aminopyridine sulphate	Generator
3-Hydroxy-4-aminopyridine sulphuric acid	Generator

Chemical Formula

C₅H₆N₂O₄S

Average Molecular Weight

190.177

Monoisotopic Molecular Weight

190.00482738

IUPAC Name

(4-aminopyridin-3-yl)oxidanesulfonic acid

Traditional Name

(4-aminopyridin-3-yl)oxidanesulfonic acid

CAS Registry Number

Not Available

SMILES

NC1=C(OS(O)(=O)=O)C=NC=C1

InChI Identifier

InChI=1S/C5H6N2O4S/c6-4-1-2-7-3-5(4)11-12(8,9)10/h1-3H,(H2,6,7)(H,8,9,10)

InChI Key

UHYGMFPQJLJNNE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic sulfuric acids and derivatives

Sub Class

Arylsulfates

Direct Parent

Arylsulfates

Alternative Parents

Substituents

Arylsulfate
Aminopyridine
Pyridine
Sulfuric acid monoester
Sulfate-ester
Sulfuric acid ester
Heteroaromatic compound
Azacycle
Organoheterocyclic compound
Amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0061120)

Organ

Liver (HMDB: HMDB0061120)
Kidney (HMDB: HMDB0061120)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0061120)

Cellular substructure

Cytoplasm (HMDB: HMDB0061120)

Source

Endogenous

Endogenous (HMDB: HMDB0061120)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.2 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-3	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	-2.8	ChemAxon
pKa (Strongest Basic)	7.69	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	102.51 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	40.57 m³·mol⁻¹	ChemAxon
Polarizability	15.65 Å³	ChemAxon
Number of Rings	1	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]+	140.407	31661259
DarkChem	[M-H]-	136.622	31661259
DeepCCS	[M+H]+	138.822	30932474
DeepCCS	[M-H]-	136.274	30932474
DeepCCS	[M-2H]-	171.982	30932474
DeepCCS	[M+Na]+	147.189	30932474
AllCCS	[M+H]+	140.6	32859911
AllCCS	[M+H-H2O]+	136.3	32859911
AllCCS	[M+NH4]+	144.6	32859911
AllCCS	[M+Na]+	145.7	32859911
AllCCS	[M-H]-	131.4	32859911
AllCCS	[M+Na-2H]-	132.4	32859911
AllCCS	[M+HCOO]-	133.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3-Hydroxy-4-aminopyridine sulfate	NC1=C(OS(O)(=O)=O)C=NC=C1	3126.5	Standard polar	33892256
3-Hydroxy-4-aminopyridine sulfate	NC1=C(OS(O)(=O)=O)C=NC=C1	1862.2	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate	NC1=C(OS(O)(=O)=O)C=NC=C1	1874.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3-Hydroxy-4-aminopyridine sulfate,1TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N	1838.5	Semi standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N	1764.6	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N	3140.5	Standard polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TMS,isomer #2	C[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O	1918.7	Semi standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TMS,isomer #2	C[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O	1824.6	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TMS,isomer #2	C[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O	2922.1	Standard polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TMS,isomer #1	C[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O[Si](C)(C)C	1926.1	Semi standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TMS,isomer #1	C[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O[Si](C)(C)C	1935.2	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TMS,isomer #1	C[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O[Si](C)(C)C	2596.7	Standard polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TMS,isomer #2	C[Si](C)(C)N(C1=CC=NC=C1OS(=O)(=O)O)[Si](C)(C)C	1932.1	Semi standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TMS,isomer #2	C[Si](C)(C)N(C1=CC=NC=C1OS(=O)(=O)O)[Si](C)(C)C	1998.6	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TMS,isomer #2	C[Si](C)(C)N(C1=CC=NC=C1OS(=O)(=O)O)[Si](C)(C)C	2678.5	Standard polar	33892256
3-Hydroxy-4-aminopyridine sulfate,3TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N([Si](C)(C)C)[Si](C)(C)C	1935.7	Semi standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,3TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N([Si](C)(C)C)[Si](C)(C)C	2092.3	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,3TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N([Si](C)(C)C)[Si](C)(C)C	2428.1	Standard polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N	2101.8	Semi standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N	2021.8	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N	3180.9	Standard polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O	2161.7	Semi standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O	2059.5	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O	2998.6	Standard polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O[Si](C)(C)C(C)(C)C	2384.8	Semi standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O[Si](C)(C)C(C)(C)C	2443.0	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=NC=C1OS(=O)(=O)O[Si](C)(C)C(C)(C)C	2734.4	Standard polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C1=CC=NC=C1OS(=O)(=O)O)[Si](C)(C)C(C)(C)C	2391.6	Semi standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C1=CC=NC=C1OS(=O)(=O)O)[Si](C)(C)C(C)(C)C	2460.8	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C1=CC=NC=C1OS(=O)(=O)O)[Si](C)(C)C(C)(C)C	2749.5	Standard polar	33892256
3-Hydroxy-4-aminopyridine sulfate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2575.1	Semi standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2826.0	Standard non polar	33892256
3-Hydroxy-4-aminopyridine sulfate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CN=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2660.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate GC-MS (Non-derivatized) - 70eV, Positive	splash10-08fu-3900000000-14a0a9b8c0233e795946	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 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 - 3-Hydroxy-4-aminopyridine sulfate 10V, Positive-QTOF	splash10-0006-0900000000-15fd0f268834415e6235	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 20V, Positive-QTOF	splash10-0229-1900000000-a28f995a6b61a80739dd	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 40V, Positive-QTOF	splash10-0udi-9000000000-bc199ef54ce7c33a558d	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 10V, Negative-QTOF	splash10-000i-0900000000-6ad8fb9be324e6919f25	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 20V, Negative-QTOF	splash10-0a4i-2900000000-e26c2a8d3508675091df	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 40V, Negative-QTOF	splash10-053r-9300000000-5900db362b4bbc8edd1a	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 10V, Positive-QTOF	splash10-03dl-0900000000-5c7620530b395bbc305a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 20V, Positive-QTOF	splash10-03di-3900000000-774fa2d05420b0a63ed6	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 40V, Positive-QTOF	splash10-002g-9000000000-2ae412474eab3a73ff71	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 10V, Negative-QTOF	splash10-000i-0900000000-caedb6fa0913338d63ba	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 20V, Negative-QTOF	splash10-000i-0900000000-caedb6fa0913338d63ba	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-4-aminopyridine sulfate 40V, Negative-QTOF	splash10-0159-9200000000-5c3733e3aae72cef3bfd	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	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]-)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-04	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

92043695

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

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for 3-Hydroxy-4-aminopyridine sulfate (HMDB0061120)

MOL for HMDB0061120 (3-Hydroxy-4-aminopyridine sulfate)

3D MOL for HMDB0061120 (3-Hydroxy-4-aminopyridine sulfate)

3D SDF for HMDB0061120 (3-Hydroxy-4-aminopyridine sulfate)

3D-SDF for HMDB0061120 (3-Hydroxy-4-aminopyridine sulfate)

PDB for HMDB0061120 (3-Hydroxy-4-aminopyridine sulfate)

3D PDB for HMDB0061120 (3-Hydroxy-4-aminopyridine sulfate)

SMILES for HMDB0061120 (3-Hydroxy-4-aminopyridine sulfate)

INCHI for HMDB0061120 (3-Hydroxy-4-aminopyridine sulfate)

Structure for HMDB0061120 (3-Hydroxy-4-aminopyridine sulfate)

3D Structure for HMDB0061120 (3-Hydroxy-4-aminopyridine sulfate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra