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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-07-22 19:50:42 UTC

Update Date

2019-07-23 07:15:51 UTC

HMDB ID

HMDB0061143

Secondary Accession Numbers

HMDB61143

Metabolite Identification

Common Name

Hydralazine pyruvate hydrazone

Description

Hydralazine pyruvate hydrazone is a metabolite of hydralazine. Hydralazine (apresoline) is a direct-acting smooth muscle relaxant used to treat hypertension by acting as a vasodilator primarily in arteries and arterioles. By relaxing vascular smooth muscle, vasodilators act to decrease peripheral resistance, thereby lowering blood pressure and decreasing afterload. (Wikipedia)

Structure

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


  Mrv0541 07261313182D          

 17 18  0  0  0  0            999 V2000
   -6.0991    3.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8136    2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8136    1.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0991    1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3846    1.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3846    2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6702    1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9557    1.9151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9557    2.7401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6702    3.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6702    0.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0868    0.0943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2618    0.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784   -0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8534   -0.4891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784   -1.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0061143

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C(=N/NC1=NN=CC2=CC=CC=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H10N4O2/c1-7(11(16)17)13-15-10-9-5-3-2-4-8(9)6-12-14-10/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7+

> <INCHI_KEY>
CXGHHASVNBBLOU-NTUHNPAUSA-N

> <FORMULA>
C11H10N4O2

> <MOLECULAR_WEIGHT>
230.2227

> <EXACT_MASS>
230.080375584

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
22.735801502768084

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-2-[2-(phthalazin-1-yl)hydrazin-1-ylidene]propanoic acid

> <ALOGPS_LOGP>
1.09

> <JCHEM_LOGP>
1.4404780042316647

> <ALOGPS_LOGS>
-3.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.81594945775298

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6272075831196253

> <JCHEM_PKA_STRONGEST_BASIC>
1.7220669582462942

> <JCHEM_POLAR_SURFACE_AREA>
87.47000000000001

> <JCHEM_REFRACTIVITY>
64.1975

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.10e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-2-[2-(phthalazin-1-yl)hydrazin-1-ylidene]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-JUL-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-JUL-13         0                                  
HETATM    1  C   UNK     0     -11.385   5.885   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -12.719   5.115   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.719   3.575   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -11.385   2.805   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.051   3.575   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.051   5.115   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.718   2.805   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -7.384   3.575   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      -7.384   5.115   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -8.718   5.885   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -8.718   1.265   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      -7.629   0.176   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -6.089   0.176   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.000   1.265   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.000  -0.913   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -3.460  -0.913   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -5.000  -2.453   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    7    6                                                  
CONECT    6    1    5   10                                                  
CONECT    7    5    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    6    9                                                       
CONECT   11    7   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

COMPND    HMDB0061143
HETATM    1  C1  UNL     1       3.303  -0.144   1.258  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.893  -0.049  -0.165  1.00  0.00           C  
HETATM    3  N1  UNL     1       1.609  -0.196  -0.398  1.00  0.00           N  
HETATM    4  N2  UNL     1       0.722  -0.423   0.648  1.00  0.00           N  
HETATM    5  C3  UNL     1      -0.555  -1.010   0.580  1.00  0.00           C  
HETATM    6  N3  UNL     1      -0.821  -2.266   0.921  1.00  0.00           N  
HETATM    7  N4  UNL     1      -2.037  -2.750   0.863  1.00  0.00           N  
HETATM    8  C4  UNL     1      -3.075  -2.004   0.455  1.00  0.00           C  
HETATM    9  C5  UNL     1      -2.851  -0.700   0.090  1.00  0.00           C  
HETATM   10  C6  UNL     1      -3.868   0.138  -0.354  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.593   1.445  -0.723  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.330   1.945  -0.662  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.295   1.128  -0.220  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.584  -0.167   0.142  1.00  0.00           C  
HETATM   15  C11 UNL     1       3.852   0.210  -1.208  1.00  0.00           C  
HETATM   16  O1  UNL     1       3.632   0.323  -2.418  1.00  0.00           O  
HETATM   17  O2  UNL     1       5.202   0.349  -0.801  1.00  0.00           O  
HETATM   18  H1  UNL     1       2.882   0.700   1.839  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.407  -0.261   1.359  1.00  0.00           H  
HETATM   20  H3  UNL     1       2.842  -1.081   1.659  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.040  -0.109   1.609  1.00  0.00           H  
HETATM   22  H5  UNL     1      -4.083  -2.412   0.408  1.00  0.00           H  
HETATM   23  H6  UNL     1      -4.865  -0.285  -0.392  1.00  0.00           H  
HETATM   24  H7  UNL     1      -4.395   2.102  -1.074  1.00  0.00           H  
HETATM   25  H8  UNL     1      -2.071   2.972  -0.949  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.285   1.508  -0.165  1.00  0.00           H  
HETATM   27  H10 UNL     1       5.324   1.035  -0.038  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    3   15
CONECT    3    4
CONECT    4    5   21
CONECT    5    6    6   14
CONECT    6    7
CONECT    7    8    8
CONECT    8    9   22
CONECT    9   10   10   14
CONECT   10   11   23
CONECT   11   12   12   24
CONECT   12   13   25
CONECT   13   14   14   26
CONECT   15   16   16   17
CONECT   17   27
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Hydralazine pyruvic acid hydrazone	Generator
Hydralazine pyruvate hydrazone	Generator

Chemical Formula

C₁₁H₁₀N₄O₂

Average Molecular Weight

230.2227

Monoisotopic Molecular Weight

230.080375584

IUPAC Name

(2E)-2-[2-(phthalazin-1-yl)hydrazin-1-ylidene]propanoic acid

Traditional Name

(2E)-2-[2-(phthalazin-1-yl)hydrazin-1-ylidene]propanoic acid

CAS Registry Number

67536-13-4

SMILES

C\C(=N/NC1=NN=CC2=CC=CC=C12)C(O)=O

InChI Identifier

InChI=1S/C11H10N4O2/c1-7(11(16)17)13-15-10-9-5-3-2-4-8(9)6-12-14-10/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7+

InChI Key

CXGHHASVNBBLOU-NTUHNPAUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phthalazines. Phthalazines are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazanaphthalenes

Sub Class

Benzodiazines

Direct Parent

Phthalazines

Alternative Parents

Substituents

Phthalazine
Pyridazine
Benzenoid
Imidolactam
Heteroaromatic compound
Azacycle
Monocarboxylic acid or derivatives
Hydrazone
Carboxylic acid
Carboxylic acid derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Carbonyl group
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Liver (HMDB: HMDB0061143)
Kidney (HMDB: HMDB0061143)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0061143)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0061143)

Cellular substructure

Cytoplasm (HMDB: HMDB0061143)

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	0.11 g/L	ALOGPS
logP	1.09	ALOGPS
logP	1.44	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	3.63	ChemAxon
pKa (Strongest Basic)	1.72	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	87.47 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	64.2 m³·mol⁻¹	ChemAxon
Polarizability	22.74 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
DeepCCS	[M-2H]-	188.195	30932474
DeepCCS	[M+Na]+	163.761	30932474
AllCCS	[M+H]+	151.6	32859911
AllCCS	[M+H-H2O]+	147.8	32859911
AllCCS	[M+NH4]+	155.2	32859911
AllCCS	[M+Na]+	156.3	32859911
AllCCS	[M-H]-	152.3	32859911
AllCCS	[M+Na-2H]-	152.2	32859911
AllCCS	[M+HCOO]-	152.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Hydralazine pyruvate hydrazone	C\C(=N/NC1=NN=CC2=CC=CC=C12)C(O)=O	2831.1	Standard polar	33892256
Hydralazine pyruvate hydrazone	C\C(=N/NC1=NN=CC2=CC=CC=C12)C(O)=O	2063.5	Standard non polar	33892256
Hydralazine pyruvate hydrazone	C\C(=N/NC1=NN=CC2=CC=CC=C12)C(O)=O	2303.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Hydralazine pyruvate hydrazone,1TMS,isomer #1	C/C(=N\NC1=NN=CC2=CC=CC=C12)C(=O)O[Si](C)(C)C	2245.7	Semi standard non polar	33892256
Hydralazine pyruvate hydrazone,1TMS,isomer #2	C/C(=N\N(C1=NN=CC2=CC=CC=C12)[Si](C)(C)C)C(=O)O	2316.5	Semi standard non polar	33892256
Hydralazine pyruvate hydrazone,2TMS,isomer #1	C/C(=N\N(C1=NN=CC2=CC=CC=C12)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2181.4	Semi standard non polar	33892256
Hydralazine pyruvate hydrazone,2TMS,isomer #1	C/C(=N\N(C1=NN=CC2=CC=CC=C12)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2171.4	Standard non polar	33892256
Hydralazine pyruvate hydrazone,2TMS,isomer #1	C/C(=N\N(C1=NN=CC2=CC=CC=C12)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3140.8	Standard polar	33892256
Hydralazine pyruvate hydrazone,1TBDMS,isomer #1	C/C(=N\NC1=NN=CC2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	2519.2	Semi standard non polar	33892256
Hydralazine pyruvate hydrazone,1TBDMS,isomer #2	C/C(=N\N(C1=NN=CC2=CC=CC=C12)[Si](C)(C)C(C)(C)C)C(=O)O	2545.1	Semi standard non polar	33892256
Hydralazine pyruvate hydrazone,2TBDMS,isomer #1	C/C(=N\N(C1=NN=CC2=CC=CC=C12)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2605.7	Semi standard non polar	33892256
Hydralazine pyruvate hydrazone,2TBDMS,isomer #1	C/C(=N\N(C1=NN=CC2=CC=CC=C12)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2554.9	Standard non polar	33892256
Hydralazine pyruvate hydrazone,2TBDMS,isomer #1	C/C(=N\N(C1=NN=CC2=CC=CC=C12)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3237.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Hydralazine pyruvate hydrazone GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f7x-3930000000-4877dd76ee46f3c05257	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydralazine pyruvate hydrazone GC-MS (1 TMS) - 70eV, Positive	splash10-0079-9840000000-81152b43d5e238b050fc	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydralazine pyruvate hydrazone GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydralazine pyruvate hydrazone 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 - Hydralazine pyruvate hydrazone 10V, Positive-QTOF	splash10-0019-1970000000-bb3413053cbb46bb8c18	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 20V, Positive-QTOF	splash10-000i-1910000000-f9edc0867f5913512799	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 40V, Positive-QTOF	splash10-0a4i-4900000000-0f3b61f96d3b6219266d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 10V, Negative-QTOF	splash10-004i-2290000000-19fe47197b567a89fbf1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 20V, Negative-QTOF	splash10-0pdi-2960000000-d3e018e914f305af0fa5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 40V, Negative-QTOF	splash10-0a4i-0900000000-b6dcb0c87564eb91304a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 10V, Positive-QTOF	splash10-001i-0490000000-f619aa193f51ad309286	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 20V, Positive-QTOF	splash10-01po-3910000000-39a158474f5443b7d308	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 40V, Positive-QTOF	splash10-0zfr-4900000000-e221fa6786bb83880126	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 10V, Negative-QTOF	splash10-0570-0940000000-7dd2949c5b58c44d7124	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 20V, Negative-QTOF	splash10-004i-0900000000-92ad1adb0c25799beef6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydralazine pyruvate hydrazone 40V, Negative-QTOF	splash10-004i-0900000000-0a4d25e9a0bcf109528a	2021-09-22	Wishart 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

9576792

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 Hydralazine pyruvate hydrazone (HMDB0061143)

MOL for HMDB0061143 (Hydralazine pyruvate hydrazone)

3D MOL for HMDB0061143 (Hydralazine pyruvate hydrazone)

3D SDF for HMDB0061143 (Hydralazine pyruvate hydrazone)

3D-SDF for HMDB0061143 (Hydralazine pyruvate hydrazone)

PDB for HMDB0061143 (Hydralazine pyruvate hydrazone)

3D PDB for HMDB0061143 (Hydralazine pyruvate hydrazone)

SMILES for HMDB0061143 (Hydralazine pyruvate hydrazone)

INCHI for HMDB0061143 (Hydralazine pyruvate hydrazone)

Structure for HMDB0061143 (Hydralazine pyruvate hydrazone)

3D Structure for HMDB0061143 (Hydralazine pyruvate hydrazone)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra