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Showing metabocard for Cotinine-N-oxide (HMDB0250484)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:30:48 UTC
Update Date2021-09-26 23:01:57 UTC
HMDB IDHMDB0250484
Secondary Accession NumbersNone
Metabolite Identification
Common NameCotinine-N-oxide
DescriptionCotinine-N-oxide belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. Based on a literature review a significant number of articles have been published on Cotinine-N-oxide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Cotinine-n-oxide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Cotinine-N-oxide 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0250484 (Cotinine-N-oxide)

  Mrv1652309112109312D          

 14 15  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   -0.4056    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7358   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942    0.4014    0.0000 O   0  5  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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  CHG  2  10   1  14  -1
M  END
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3D MOL for HMDB0250484 (Cotinine-N-oxide)

HMDB0250484
     RDKit          3D
Cotinine-N-oxide
 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.0049   -0.6591    2.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4465   -0.1761    0.7926 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655   -0.3613    0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7217   -0.9051    0.8935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973    0.2078   -1.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371    0.0745   -1.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6922    0.5427   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7546    0.2572   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -0.9919   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -1.1246   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4959   -0.0256   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620    1.1931   -0.2276 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.7861    2.2980   -0.3091 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.6290    1.3244   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1989   -0.0248    2.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7160   -1.7059    1.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8801   -0.5393    2.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0051    1.3097   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4706   -0.3365   -1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1034    0.7728   -2.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646   -0.9765   -1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8997    1.6062   -0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6356   -1.8434   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669   -2.1193    0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5857   -0.1393   -0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335    2.3421   -0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
  7  2  1  0
 14  8  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  9 23  1  0
 10 24  1  0
 11 25  1  0
 14 26  1  0
M  CHG  2  12   1  13  -1
M  END
Download

3D SDF for HMDB0250484 (Cotinine-N-oxide)

  Mrv1652309112109312D          

 14 15  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   -0.4056    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7358   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942    0.4014    0.0000 O   0  5  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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  CHG  2  10   1  14  -1
M  END
> <DATABASE_ID>
HMDB0250484

> <DATABASE_NAME>
hmdb

> <SMILES>
CN1C(CCC1=O)C1=C[N+]([O-])=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3

> <INCHI_KEY>
CIPULDKLIIVIER-UHFFFAOYSA-N

> <FORMULA>
C10H12N2O2

> <MOLECULAR_WEIGHT>
192.218

> <EXACT_MASS>
192.089877634

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
19.546380947851762

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-olate

> <ALOGPS_LOGP>
-0.66

> <JCHEM_LOGP>
-1.0495223999999999

> <ALOGPS_LOGS>
-1.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.9730178011437361

> <JCHEM_POLAR_SURFACE_AREA>
47.25

> <JCHEM_REFRACTIVITY>
52.592800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.10e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-olate

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0250484 (Cotinine-N-oxide)

HMDB0250484
     RDKit          3D
Cotinine-N-oxide
 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.0049   -0.6591    2.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4465   -0.1761    0.7926 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655   -0.3613    0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7217   -0.9051    0.8935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973    0.2078   -1.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371    0.0745   -1.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6922    0.5427   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7546    0.2572   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -0.9919   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -1.1246   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4959   -0.0256   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620    1.1931   -0.2276 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.7861    2.2980   -0.3091 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.6290    1.3244   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1989   -0.0248    2.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7160   -1.7059    1.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8801   -0.5393    2.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0051    1.3097   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4706   -0.3365   -1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1034    0.7728   -2.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646   -0.9765   -1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8997    1.6062   -0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6356   -1.8434   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669   -2.1193    0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5857   -0.1393   -0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335    2.3421   -0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
  7  2  1  0
 14  8  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  9 23  1  0
 10 24  1  0
 11 25  1  0
 14 26  1  0
M  CHG  2  12   1  13  -1
M  END
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PDB for HMDB0250484 (Cotinine-N-oxide)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       2.580  -3.215   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.104  -4.680   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.564  -4.680   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.088  -3.215   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.377  -2.739   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.044  -2.739   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.364  -1.233   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       5.829  -0.757   0.000  0.00  0.00           N+1
HETATM   11  C   UNK     0       6.973  -1.788   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.653  -3.294   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.189  -3.770   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.149   0.749   0.000  0.00  0.00           O-1
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    2    7                                                  
CONECT    7    6                                                            
CONECT    8    3    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8                                                       
CONECT   14   10                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END
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3D PDB for HMDB0250484 (Cotinine-N-oxide)

COMPND    HMDB0250484
HETATM    1  C1  UNL     1      -1.005  -0.659   2.086  1.00  0.00           C  
HETATM    2  N1  UNL     1      -1.447  -0.176   0.793  1.00  0.00           N  
HETATM    3  C2  UNL     1      -2.765  -0.361   0.288  1.00  0.00           C  
HETATM    4  O1  UNL     1      -3.722  -0.905   0.893  1.00  0.00           O  
HETATM    5  C3  UNL     1      -2.797   0.208  -1.086  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.337   0.075  -1.491  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.692   0.543  -0.183  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.755   0.257  -0.160  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.284  -0.992  -0.067  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.671  -1.125  -0.055  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.496  -0.026  -0.136  1.00  0.00           C  
HETATM   12  N2  UNL     1       2.962   1.193  -0.228  1.00  0.00           N1+
HETATM   13  O2  UNL     1       3.786   2.298  -0.309  1.00  0.00           O1-
HETATM   14  C10 UNL     1       1.629   1.324  -0.239  1.00  0.00           C  
HETATM   15  H1  UNL     1      -0.199  -0.025   2.523  1.00  0.00           H  
HETATM   16  H2  UNL     1      -0.716  -1.706   1.974  1.00  0.00           H  
HETATM   17  H3  UNL     1      -1.880  -0.539   2.788  1.00  0.00           H  
HETATM   18  H4  UNL     1      -3.005   1.310  -1.075  1.00  0.00           H  
HETATM   19  H5  UNL     1      -3.471  -0.337  -1.764  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.103   0.773  -2.322  1.00  0.00           H  
HETATM   21  H7  UNL     1      -1.065  -0.976  -1.718  1.00  0.00           H  
HETATM   22  H8  UNL     1      -0.900   1.606  -0.088  1.00  0.00           H  
HETATM   23  H9  UNL     1       0.636  -1.843  -0.004  1.00  0.00           H  
HETATM   24  H10 UNL     1       3.067  -2.119   0.019  1.00  0.00           H  
HETATM   25  H11 UNL     1       4.586  -0.139  -0.127  1.00  0.00           H  
HETATM   26  H12 UNL     1       1.233   2.342  -0.315  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    7
CONECT    3    4    4    5
CONECT    5    6   18   19
CONECT    6    7   20   21
CONECT    7    8   22
CONECT    8    9    9   14
CONECT    9   10   23
CONECT   10   11   11   24
CONECT   11   12   25
CONECT   12   13   14   14
CONECT   14   26
END
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SMILES for HMDB0250484 (Cotinine-N-oxide)

CN1C(CCC1=O)C1=C[N+]([O-])=CC=C1
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INCHI for HMDB0250484 (Cotinine-N-oxide)

InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Cotinine-1-N-oxideHMDB
Cotinine-N-oxideMeSH
Chemical FormulaC10H12N2O2
Average Molecular Weight192.218
Monoisotopic Molecular Weight192.089877634
IUPAC Name3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-olate
Traditional Name3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-olate
CAS Registry NumberNot Available
SMILES
CN1C(CCC1=O)C1=C[N+]([O-])=CC=C1
InChI Identifier
InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3
InChI KeyCIPULDKLIIVIER-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassPyrrolidinylpyridines
Direct ParentPyrrolidinylpyridines
Alternative Parents
Substituents
  • Pyrrolidinylpyridine
  • Alkaloid or derivatives
  • Pyridinium
  • Pyrrolidone
  • 2-pyrrolidone
  • N-alkylpyrrolidine
  • Pyrrolidine
  • Tertiary carboxylic acid amide
  • Heteroaromatic compound
  • Lactam
  • Carboxamide group
  • Carboxylic acid derivative
  • Azacycle
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cotinine-N-oxide GC-MS (Non-derivatized) - 70eV, Positivesplash10-007c-2900000000-b21511ca6ae8481af0e82021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cotinine-N-oxide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID97208
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound108114
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]