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Showing metabocard for 2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate (HMDB0247382)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 00:23:21 UTC
Update Date2021-09-26 22:57:02 UTC
HMDB IDHMDB0247382
Secondary Accession NumbersNone
Metabolite Identification
Common Name2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate
Description2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate, also known as HSATA or N-hydroxysuccinimide S-acetylthioacetate, belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring. Based on a literature review very few articles have been published on 2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2,5-dioxopyrrolidin-1-yl 2-(acetylthio)acetate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate 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 HMDB0247382 (2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate)

  Mrv1652309112102232D          

 15 15  0  0  0  0            999 V2000
    2.4489   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634   -2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634   -2.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779   -3.3644    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3068   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3068   -4.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0213   -2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7357   -3.3644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4894   -3.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6609   -2.2218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0414   -3.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6289   -4.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8220   -4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089   -4.7369    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
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3D MOL for HMDB0247382 (2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate)

HMDB0247382
     RDKit          3D
2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate
 24 24  0  0  0  0  0  0  0  0999 V2000
    3.7426    0.5121   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416   -0.7954   -0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8767   -0.9363   -1.5414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438   -2.2415   -0.4849 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5852   -2.0042    0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -1.0791    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637   -0.5287   -0.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527   -0.7976    0.9543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5786    0.0322    0.6049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864    1.3464    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5341    1.9340   -0.3178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9812    1.8565    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8274    0.5917    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9475   -0.3756    0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3819   -1.3730    1.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6901    0.7879    0.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2861    0.4663    0.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    1.2993   -0.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -3.0110    0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9148   -1.6690    1.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2143    2.4335    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1331    2.4826   -0.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7856    0.7509    0.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9089    0.3181   -1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  5 19  1  0
  5 20  1  0
 12 21  1  0
 12 22  1  0
 13 23  1  0
 13 24  1  0
M  END
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3D SDF for HMDB0247382 (2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate)

  Mrv1652309112102232D          

 15 15  0  0  0  0            999 V2000
    2.4489   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634   -2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634   -2.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779   -3.3644    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3068   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3068   -4.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0213   -2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7357   -3.3644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4894   -3.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6609   -2.2218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0414   -3.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6289   -4.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8220   -4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089   -4.7369    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247382

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)SCC(=O)ON1C(=O)CCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H9NO5S/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12/h2-4H2,1H3

> <INCHI_KEY>
FLCQLSRLQIPNLM-UHFFFAOYSA-N

> <FORMULA>
C8H9NO5S

> <MOLECULAR_WEIGHT>
231.22

> <EXACT_MASS>
231.020143568

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
20.922239724390053

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,5-dioxopyrrolidin-1-yl 2-(acetylsulfanyl)acetate

> <ALOGPS_LOGP>
0.09

> <JCHEM_LOGP>
-0.7865873473333331

> <ALOGPS_LOGS>
-1.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.70656722495593

> <JCHEM_PKA_STRONGEST_BASIC>
-6.032083087118271

> <JCHEM_POLAR_SURFACE_AREA>
80.75

> <JCHEM_REFRACTIVITY>
50.4945

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.25e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,5-dioxopyrrolidin-1-yl (acetylsulfanyl)acetate

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0247382 (2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate)

HMDB0247382
     RDKit          3D
2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate
 24 24  0  0  0  0  0  0  0  0999 V2000
    3.7426    0.5121   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416   -0.7954   -0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8767   -0.9363   -1.5414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438   -2.2415   -0.4849 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5852   -2.0042    0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -1.0791    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637   -0.5287   -0.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527   -0.7976    0.9543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5786    0.0322    0.6049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864    1.3464    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5341    1.9340   -0.3178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9812    1.8565    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8274    0.5917    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9475   -0.3756    0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3819   -1.3730    1.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6901    0.7879    0.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2861    0.4663    0.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    1.2993   -0.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -3.0110    0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9148   -1.6690    1.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2143    2.4335    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1331    2.4826   -0.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7856    0.7509    0.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9089    0.3181   -1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  5 19  1  0
  5 20  1  0
 12 21  1  0
 12 22  1  0
 13 23  1  0
 13 24  1  0
M  END
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PDB for HMDB0247382 (2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate)

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       4.571  -6.280   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.905  -5.510   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.905  -3.970   0.000  0.00  0.00           O+0
HETATM    4  S   UNK     0       7.239  -6.280   0.000  0.00  0.00           S+0
HETATM    5  C   UNK     0       8.572  -5.510   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.906  -6.280   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       9.906  -7.820   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      11.240  -5.510   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      12.573  -6.280   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      13.980  -5.654   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      14.300  -4.147   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      15.011  -6.798   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.241  -8.132   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.734  -7.812   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      11.590  -8.842   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9   15                                                  
CONECT   15   14                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   30    0
END
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3D PDB for HMDB0247382 (2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate)

COMPND    HMDB0247382
HETATM    1  C1  UNL     1       3.743   0.512  -0.082  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.942  -0.795  -0.738  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.877  -0.936  -1.541  1.00  0.00           O  
HETATM    4  S1  UNL     1       2.944  -2.242  -0.485  1.00  0.00           S  
HETATM    5  C3  UNL     1       1.585  -2.004   0.654  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.535  -1.079   0.144  1.00  0.00           C  
HETATM    7  O2  UNL     1       0.564  -0.529  -0.979  1.00  0.00           O  
HETATM    8  O3  UNL     1      -0.553  -0.798   0.954  1.00  0.00           O  
HETATM    9  N1  UNL     1      -1.579   0.032   0.605  1.00  0.00           N  
HETATM   10  C5  UNL     1      -1.586   1.346   0.074  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.534   1.934  -0.318  1.00  0.00           O  
HETATM   12  C6  UNL     1      -2.981   1.856   0.074  1.00  0.00           C  
HETATM   13  C7  UNL     1      -3.827   0.592   0.021  1.00  0.00           C  
HETATM   14  C8  UNL     1      -2.948  -0.376   0.757  1.00  0.00           C  
HETATM   15  O5  UNL     1      -3.382  -1.373   1.393  1.00  0.00           O  
HETATM   16  H1  UNL     1       2.690   0.788   0.101  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.286   0.466   0.897  1.00  0.00           H  
HETATM   18  H3  UNL     1       4.249   1.299  -0.708  1.00  0.00           H  
HETATM   19  H4  UNL     1       1.103  -3.011   0.810  1.00  0.00           H  
HETATM   20  H5  UNL     1       1.915  -1.669   1.665  1.00  0.00           H  
HETATM   21  H6  UNL     1      -3.214   2.433   1.002  1.00  0.00           H  
HETATM   22  H7  UNL     1      -3.133   2.483  -0.844  1.00  0.00           H  
HETATM   23  H8  UNL     1      -4.786   0.751   0.520  1.00  0.00           H  
HETATM   24  H9  UNL     1      -3.909   0.318  -1.056  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3    3    4
CONECT    4    5
CONECT    5    6   19   20
CONECT    6    7    7    8
CONECT    8    9
CONECT    9   10   14
CONECT   10   11   11   12
CONECT   12   13   21   22
CONECT   13   14   23   24
CONECT   14   15   15
END
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SMILES for HMDB0247382 (2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate)

CC(=O)SCC(=O)ON1C(=O)CCC1=O
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INCHI for HMDB0247382 (2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate)

InChI=1S/C8H9NO5S/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12/h2-4H2,1H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetic acidGenerator
2,5-Dioxopyrrolidin-1-yl 2-(acetylsulfanyl)acetic acidHMDB
2,5-Dioxopyrrolidin-1-yl 2-(acetylsulphanyl)acetateHMDB
2,5-Dioxopyrrolidin-1-yl 2-(acetylsulphanyl)acetic acidHMDB
HSATAHMDB
N-Hydroxysuccinimide S-acetylthioacetateHMDB
N-Succinimidyl-S-acetylthioacetateHMDB
S-Acetylthioacetic acid N-hydroxysuccinimide esterHMDB
SATAHMDB
Chemical FormulaC8H9NO5S
Average Molecular Weight231.22
Monoisotopic Molecular Weight231.020143568
IUPAC Name2,5-dioxopyrrolidin-1-yl 2-(acetylsulfanyl)acetate
Traditional Name2,5-dioxopyrrolidin-1-yl (acetylsulfanyl)acetate
CAS Registry NumberNot Available
SMILES
CC(=O)SCC(=O)ON1C(=O)CCC1=O
InChI Identifier
InChI=1S/C8H9NO5S/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12/h2-4H2,1H3
InChI KeyFLCQLSRLQIPNLM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyrrolidines
Sub ClassPyrrolidones
Direct ParentPyrrolidine-2-ones
Alternative Parents
Substituents
  • 2-pyrrolidone
  • Dicarboximide
  • Carboxylic acid salt
  • Lactam
  • Thiocarboxylic acid ester
  • Carbothioic s-ester
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Thiocarboxylic acid or derivatives
  • Sulfenyl compound
  • Azacycle
  • Organic oxide
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic salt
  • Organic oxygen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
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
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 ID113145
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound127532
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 ]