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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (1) Show 1 protein XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 15:16:52 UTC

Update Date

2023-02-21 17:18:30 UTC

HMDB ID

HMDB0015491

Secondary Accession Numbers

HMDB15491

Metabolite Identification

Common Name

Nitroxoline

Description

Nitroxoline is only found in individuals that have used or taken this drug. It is a urinary antibacterial agent active against susceptible gram-positive and gram-negative organisms commonly found in urinary tract infections. It is a fluorquinolone that is active against bacterial gyrases.This drug may also have antitumor activity by inhibition of ype 2 methionine aminopeptidase (MetAP2) protein which is involved in angiogenesis. Its antibacterial activity may stem from the metal ion complexation vital for bacterial growth.

Structure

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

1422
  Mrv0541 02231215292D          

 14 15  0  0  0  0            999 V2000
    2.3641    1.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -1.9838    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0786   -1.9838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8160    0.9319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -1.5714    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0786   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    0.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8160   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5634   -0.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5634    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END
> <DATABASE_ID>
HMDB0015491

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H

> <INCHI_KEY>
RJIWZDNTCBHXAL-UHFFFAOYSA-N

> <FORMULA>
C9H6N2O3

> <MOLECULAR_WEIGHT>
190.1555

> <EXACT_MASS>
190.037842068

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
17.163202295729285

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-nitroquinolin-8-ol

> <ALOGPS_LOGP>
1.90

> <JCHEM_LOGP>
1.767319339

> <ALOGPS_LOGS>
-1.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.8755887406986

> <JCHEM_PKA_STRONGEST_BASIC>
2.08166459790019

> <JCHEM_POLAR_SURFACE_AREA>
78.94

> <JCHEM_REFRACTIVITY>
49.284900000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.73e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nitroxoline

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 1422                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       4.413   3.226   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       3.080  -3.703   0.000  0.00  0.00           O-1
HETATM    3  O   UNK     0       5.747  -3.703   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       7.123   1.739   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0       4.413  -2.933   0.000  0.00  0.00           N+1
HETATM    6  C   UNK     0       5.747  -0.624   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.747   0.916   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.413  -1.393   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.413   1.686   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.080  -0.624   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.123  -1.447   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.080   0.916   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.518  -0.656   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.518   0.948   0.000  0.00  0.00           C+0
CONECT    1    9                                                            
CONECT    2    5                                                            
CONECT    3    5                                                            
CONECT    4    7   14                                                       
CONECT    5    2    3    8                                                  
CONECT    6    7    8   11                                                  
CONECT    7    4    6    9                                                  
CONECT    8    5    6   10                                                  
CONECT    9    1    7   12                                                  
CONECT   10    8   12                                                       
CONECT   11    6   13                                                       
CONECT   12    9   10                                                       
CONECT   13   11   14                                                       
CONECT   14    4   13                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
5-Nitro-8-hydroxyquinoline	ChEBI
5-Nitro-8-oxyquinoline	ChEBI
5-Nitro-8-quinolinol	ChEBI
5-Nitrox	ChEBI
5-NOK	ChEBI
5NOK	ChEBI
8-Hydroxy-5-nitroquinoline	ChEBI
Nitroxolina	ChEBI
Nitroxolinum	ChEBI
5-Nitroks	HMDB
5-Nitroxine	HMDB
Cysto-saar plus	HMDB
Nitroxoline monofluoride	HMDB
Nitroxoline, potassium salt	HMDB
5-Nitroquinolin-8-ol	HMDB
Nibiol	HMDB

Chemical Formula

C₉H₆N₂O₃

Average Molecular Weight

190.1555

Monoisotopic Molecular Weight

190.037842068

IUPAC Name

5-nitroquinolin-8-ol

Traditional Name

nitroxoline

CAS Registry Number

4008-48-4

SMILES

OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O

InChI Identifier

InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H

InChI Key

RJIWZDNTCBHXAL-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as nitroquinolines and derivatives. Nitroquinolines and derivatives are compounds containing a nitro group attached to a quinoline moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Nitroquinolines and derivatives

Direct Parent

Nitroquinolines and derivatives

Alternative Parents

Substituents

Nitroquinoline
8-hydroxyquinoline
Nitroaromatic compound
1-hydroxy-2-unsubstituted benzenoid
Pyridine
Benzenoid
Heteroaromatic compound
C-nitro compound
Organic nitro compound
Organic oxoazanium
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Allyl-type 1,3-dipolar organic compound
Organic nitrogen compound
Hydrocarbon derivative
Organic zwitterion
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

C-nitro compound (CHEBI:67121 )
monohydroxyquinoline (CHEBI:67121 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	180 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	2.73 g/L	Not Available
LogP	1.99	HANSCH,C ET AL. (1995)

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.73 g/L	ALOGPS
logP	1.9	ALOGPS
logP	1.77	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	6.88	ChemAxon
pKa (Strongest Basic)	2.08	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	78.94 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	49.28 m³·mol⁻¹	ChemAxon
Polarizability	17.16 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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]+	140.837	31661259
DarkChem	[M-H]-	140.818	31661259
DeepCCS	[M+H]+	130.892	30932474
DeepCCS	[M-H]-	127.64	30932474
DeepCCS	[M-2H]-	163.945	30932474
DeepCCS	[M+Na]+	139.254	30932474
AllCCS	[M+H]+	138.6	32859911
AllCCS	[M+H-H2O]+	134.1	32859911
AllCCS	[M+NH4]+	142.8	32859911
AllCCS	[M+Na]+	144.0	32859911
AllCCS	[M-H]-	134.7	32859911
AllCCS	[M+Na-2H]-	134.6	32859911
AllCCS	[M+HCOO]-	134.6	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	3.27 minutes	32390414
Predicted by Siyang on May 30, 2022	11.3969 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	1.82 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	40.1 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1469.7 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	367.9 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	106.5 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	220.7 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	163.5 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	379.9 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	359.0 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	163.3 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	807.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	69.2 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1067.4 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	294.9 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	335.7 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	610.1 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	416.7 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	200.3 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Nitroxoline	OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O	2757.9	Standard polar	33892256
Nitroxoline	OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O	1868.0	Standard non polar	33892256
Nitroxoline	OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O	1776.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Nitroxoline,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C([N+](=O)[O-])C2=CC=CN=C12	1918.0	Semi standard non polar	33892256
Nitroxoline,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C([N+](=O)[O-])C2=CC=CN=C12	2187.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Nitroxoline GC-MS (Non-derivatized) - 70eV, Positive	splash10-01r6-2900000000-0826262edf2cf93fa0a8	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Nitroxoline GC-MS (1 TMS) - 70eV, Positive	splash10-00di-9240000000-d92c6ca1c4f562c0f4df	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Nitroxoline 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
Experimental LC-MS/MS	LC-MS/MS Spectrum - Nitroxoline LC-ESI-qTof , Positive-QTOF	splash10-002b-3900000000-cf44cf477f74a379b18a	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Nitroxoline , positive-QTOF	splash10-002b-3900000000-cf44cf477f74a379b18a	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nitroxoline 10V, Positive-QTOF	splash10-0006-0900000000-a4ebab0f2f9b7a03593b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nitroxoline 20V, Positive-QTOF	splash10-000i-0900000000-696854b6e82227dad60d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nitroxoline 40V, Positive-QTOF	splash10-00kr-1900000000-ee0710e53dba19b3689c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nitroxoline 10V, Negative-QTOF	splash10-000i-0900000000-b54daedc91479f19db26	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nitroxoline 20V, Negative-QTOF	splash10-000i-0900000000-a5731db9e07865438003	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Nitroxoline 40V, Negative-QTOF	splash10-0019-0900000000-f476e1bf96be4805ea1f	2016-08-03	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	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

Cytoplasm

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

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	Taking drug identified by DrugBank entry DB01422	21059682	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB01422	21059682	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB01422

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

18756

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Nitroxoline

METLIN ID

Not Available

PubChem Compound

19910

PDB ID

HNQ

ChEBI ID

67121

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

Enzymes

Enzyme Details

1. Methionine aminopeptidase 1

General function:: Involved in aminopeptidase activity
Specific function:: Removes the amino-terminal methionine from nascent proteins. Required for normal progression through the cell cycle
Gene Name:: METAP1
Uniprot ID:: P53582
Molecular weight:: 43214.9

References

Shim JS, Matsui Y, Bhat S, Nacev BA, Xu J, Bhang HE, Dhara S, Han KC, Chong CR, Pomper MG, So A, Liu JO: Effect of nitroxoline on angiogenesis and growth of human bladder cancer. J Natl Cancer Inst. 2010 Dec 15;102(24):1855-73. doi: 10.1093/jnci/djq457. Epub 2010 Nov 18. [PubMed:21088277 ]

Showing metabocard for Nitroxoline (HMDB0015491)

MOL for HMDB0015491 (Nitroxoline)

3D MOL for HMDB0015491 (Nitroxoline)

3D SDF for HMDB0015491 (Nitroxoline)

3D-SDF for HMDB0015491 (Nitroxoline)

PDB for HMDB0015491 (Nitroxoline)

3D PDB for HMDB0015491 (Nitroxoline)

SMILES for HMDB0015491 (Nitroxoline)

INCHI for HMDB0015491 (Nitroxoline)

Structure for HMDB0015491 (Nitroxoline)

3D Structure for HMDB0015491 (Nitroxoline)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes

References