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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 22:50:25 UTC

Update Date

2021-09-26 23:17:43 UTC

HMDB ID

HMDB0259885

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Oxamyl

Description

oxamyl belongs to the class of organic compounds known as tertiary carboxylic acid amides. Tertiary carboxylic acid amides are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H). Based on a literature review a significant number of articles have been published on oxamyl. This compound has been identified in human blood as reported by (PMID: 31557052 ). Oxamyl is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Oxamyl is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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


  Mrv1652307282022212D          

 14 13  0  0  0  0            999 V2000
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0259885

> <DATABASE_NAME>
hmdb

> <SMILES>
CNC(=O)ON=C(SC)C(=O)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)

> <INCHI_KEY>
KZAUOCCYDRDERY-UHFFFAOYSA-N

> <FORMULA>
C7H13N3O3S

> <MOLECULAR_WEIGHT>
219.26

> <EXACT_MASS>
219.067762465

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
21.671916157360236

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(dimethylcarbamoyl)(methylsulfanyl)methylidene]amino N-methylcarbamate

> <ALOGPS_LOGP>
-0.16

> <JCHEM_LOGP>
0.3196847919999996

> <ALOGPS_LOGS>
-1.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.862777149942271

> <JCHEM_PKA_STRONGEST_BASIC>
-1.6972090277112364

> <JCHEM_POLAR_SURFACE_AREA>
70.99999999999999

> <JCHEM_REFRACTIVITY>
53.665600000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.60e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
oxamyl

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-JUL-20         0                                  
HETATM    1  C   UNK     0       6.160   2.667   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       4.620   2.667   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       3.850   1.334   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.620   0.000   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       2.310   1.334   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0       1.540   0.000   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  S   UNK     0      -0.770   1.334   0.000  0.00  0.00           S+0
HETATM    9  C   UNK     0      -2.310   1.334   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.000  -2.667   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      -2.310  -1.334   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -3.080  -2.667   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.080   0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

COMPND    HMDB0259885
HETATM    1  C1  UNL     1       5.045  -1.059  -0.658  1.00  0.00           C  
HETATM    2  N1  UNL     1       3.680  -1.267  -0.222  1.00  0.00           N  
HETATM    3  C2  UNL     1       2.809  -0.146  -0.212  1.00  0.00           C  
HETATM    4  O1  UNL     1       3.170   0.992  -0.559  1.00  0.00           O  
HETATM    5  O2  UNL     1       1.483  -0.313   0.204  1.00  0.00           O  
HETATM    6  N2  UNL     1       0.650   0.760   0.213  1.00  0.00           N  
HETATM    7  C3  UNL     1      -0.653   0.652   0.134  1.00  0.00           C  
HETATM    8  S1  UNL     1      -1.596   2.156   0.159  1.00  0.00           S  
HETATM    9  C4  UNL     1      -0.477   3.564   0.296  1.00  0.00           C  
HETATM   10  C5  UNL     1      -1.293  -0.649   0.030  1.00  0.00           C  
HETATM   11  O3  UNL     1      -0.513  -1.662   0.021  1.00  0.00           O  
HETATM   12  N3  UNL     1      -2.668  -0.896  -0.060  1.00  0.00           N  
HETATM   13  C6  UNL     1      -3.613   0.193  -0.056  1.00  0.00           C  
HETATM   14  C7  UNL     1      -3.161  -2.248  -0.158  1.00  0.00           C  
HETATM   15  H1  UNL     1       5.671  -1.846  -0.201  1.00  0.00           H  
HETATM   16  H2  UNL     1       5.372  -0.035  -0.341  1.00  0.00           H  
HETATM   17  H3  UNL     1       5.119  -1.153  -1.777  1.00  0.00           H  
HETATM   18  H4  UNL     1       3.370  -2.216   0.070  1.00  0.00           H  
HETATM   19  H5  UNL     1       0.519   3.206   0.631  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.889   4.258   1.077  1.00  0.00           H  
HETATM   21  H7  UNL     1      -0.391   4.116  -0.685  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.607   0.802   0.855  1.00  0.00           H  
HETATM   23  H9  UNL     1      -3.473   0.871  -0.934  1.00  0.00           H  
HETATM   24  H10 UNL     1      -4.670  -0.214  -0.114  1.00  0.00           H  
HETATM   25  H11 UNL     1      -3.635  -2.484   0.837  1.00  0.00           H  
HETATM   26  H12 UNL     1      -3.892  -2.391  -0.978  1.00  0.00           H  
HETATM   27  H13 UNL     1      -2.358  -2.989  -0.324  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3   18
CONECT    3    4    4    5
CONECT    5    6
CONECT    6    7    7
CONECT    7    8   10
CONECT    8    9
CONECT    9   19   20   21
CONECT   10   11   11   12
CONECT   12   13   14
CONECT   13   22   23   24
CONECT   14   25   26   27
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-(Dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioic acid methyl ester	ChEBI
2-Dimethylamino-1-(methylthio)glyoxal O-methylcarbamoylmonoxime	ChEBI
Dioxamyl	ChEBI
N',n'-dimethyl-N-((methylcarbamoyl)oxy)-1-methylthio-oxamimidic acid	ChEBI
N,N-Dimethyl-alpha-methylcarbamoyloxyimino-alpha-(methylthio)acetamide	ChEBI
S-Methyl 1-(dimethylcarbamoyl)-N-((methylcarbamoyl)oxy)thioformimidate	ChEBI
S-Methyl n',n'-dimethyl-N-(methylcarbamoyloxy)-1-thio-oxamimidate	ChEBI
2-(Dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioate methyl ester	Generator
N',n'-dimethyl-N-((methylcarbamoyl)oxy)-1-methylthio-oxamimidate	Generator
N,N-Dimethyl-a-methylcarbamoyloxyimino-a-(methylthio)acetamide	Generator
N,N-Dimethyl-α-methylcarbamoyloxyimino-α-(methylthio)acetamide	Generator
S-Methyl 1-(dimethylcarbamoyl)-N-((methylcarbamoyl)oxy)thioformimidic acid	Generator
S-Methyl n',n'-dimethyl-N-(methylcarbamoyloxy)-1-thio-oxamimidic acid	Generator
N',n'-dimethyl-N-((methylcarbamoyl)oxy)-1- thiooxamimidate	MeSH
Oxamyl 1211	MeSH
Oxamyl 4509	MeSH

Chemical Formula

C₇H₁₃N₃O₃S

Average Molecular Weight

219.26

Monoisotopic Molecular Weight

219.067762465

IUPAC Name

[(dimethylcarbamoyl)(methylsulfanyl)methylidene]amino N-methylcarbamate

Traditional Name

oxamyl

CAS Registry Number

Not Available

SMILES

CNC(=O)ON=C(SC)C(=O)N(C)C

InChI Identifier

InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)

InChI Key

KZAUOCCYDRDERY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tertiary carboxylic acid amides. Tertiary carboxylic acid amides are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Tertiary carboxylic acid amides

Alternative Parents

Substituents

Tertiary carboxylic acid amide
Carboximidic acid derivative
Sulfenyl compound
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Imine
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

carbamate ester (CHEBI:38539 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Cellular substructure

Cytoplasm (HMDB: HMDB0259885)
extracellular (HMDB: HMDB0259885)

Process

Not Available

Role

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
logP	-0.16	ALOGPS
logP	0.32	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	13.86	ChemAxon
pKa (Strongest Basic)	-1.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	71 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	53.67 m³·mol⁻¹	ChemAxon
Polarizability	21.67 Å³	ChemAxon
Number of Rings	0	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
AllCCS	[M+H]+	147.128	32859911
AllCCS	[M+H-H2O]+	143.834	32859911
AllCCS	[M+Na]+	151.062	32859911
AllCCS	[M+NH4]+	150.183	32859911
AllCCS	[M-H]-	147.29	32859911
AllCCS	[M+Na-2H]-	148.681	32859911
AllCCS	[M+HCOO]-	150.281	32859911
DeepCCS	[M+H]+	143.776	30932474
DeepCCS	[M-H]-	141.38	30932474
DeepCCS	[M-2H]-	176.13	30932474
DeepCCS	[M+Na]+	150.67	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Oxamyl	CNC(=O)ON=C(SC)C(=O)N(C)C	2305.9	Standard polar	33892256
Oxamyl	CNC(=O)ON=C(SC)C(=O)N(C)C	1579.6	Standard non polar	33892256
Oxamyl	CNC(=O)ON=C(SC)C(=O)N(C)C	1802.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Oxamyl,1TMS,isomer #1	CSC(=NOC(=O)N(C)[Si](C)(C)C)C(=O)N(C)C	1878.8	Semi standard non polar	33892256
Oxamyl,1TMS,isomer #1	CSC(=NOC(=O)N(C)[Si](C)(C)C)C(=O)N(C)C	1647.5	Standard non polar	33892256
Oxamyl,1TMS,isomer #1	CSC(=NOC(=O)N(C)[Si](C)(C)C)C(=O)N(C)C	2931.4	Standard polar	33892256
Oxamyl,1TBDMS,isomer #1	CSC(=NOC(=O)N(C)[Si](C)(C)C(C)(C)C)C(=O)N(C)C	2078.2	Semi standard non polar	33892256
Oxamyl,1TBDMS,isomer #1	CSC(=NOC(=O)N(C)[Si](C)(C)C(C)(C)C)C(=O)N(C)C	1817.5	Standard non polar	33892256
Oxamyl,1TBDMS,isomer #1	CSC(=NOC(=O)N(C)[Si](C)(C)C(C)(C)C)C(=O)N(C)C	2965.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Oxamyl GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2020-08-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Oxamyl 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 - Oxamyl NA , positive-QTOF	splash10-00di-9810000000-e8856cc7d6139e969bd4	2020-08-04	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxamyl 10V, Positive-QTOF	Not Available	2020-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxamyl 20V, Positive-QTOF	Not Available	2020-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxamyl 40V, Positive-QTOF	Not Available	2020-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxamyl 10V, Negative-QTOF	Not Available	2020-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxamyl 20V, Negative-QTOF	Not Available	2020-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Oxamyl 40V, Negative-QTOF	Not Available	2020-08-04	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	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

29356

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Oxamyl

METLIN ID

Not Available

PubChem Compound

31657

PDB ID

Not Available

ChEBI ID

38539

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Oxamyl (HMDB0259885)

MOL for HMDB0259885 (Oxamyl)

3D MOL for HMDB0259885 (Oxamyl)

3D SDF for HMDB0259885 (Oxamyl)

3D-SDF for HMDB0259885 (Oxamyl)

PDB for HMDB0259885 (Oxamyl)

3D PDB for HMDB0259885 (Oxamyl)

SMILES for HMDB0259885 (Oxamyl)

INCHI for HMDB0259885 (Oxamyl)

Structure for HMDB0259885 (Oxamyl)

3D Structure for HMDB0259885 (Oxamyl)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra