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Showing metabocard for 2,4,6-Tribromophenol (HMDB0029642)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:31:44 UTC
Update Date2022-03-07 02:52:14 UTC
HMDB IDHMDB0029642
Secondary Accession Numbers
  • HMDB29642
Metabolite Identification
Common Name2,4,6-Tribromophenol
Description2,4,6-Tribromophenol, also known as 2,4,6-TBP or bromol, belongs to the class of organic compounds known as p-bromophenols. These are bromophenols carrying a iodine at the C4 position of the benzene ring. 2,4,6-Tribromophenol has been detected, but not quantified, in a few different foods, such as crustaceans, fishes, and mollusks. This could make 2,4,6-tribromophenol a potential biomarker for the consumption of these foods. A bromophenol that is phenol in which the hydrogens at positions 2, 4 and 6 have been replaced by bromines. 2,4,6-Tribromophenol is a potentially toxic compound.
Structure
Data?1582753445
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029642 (2,4,6-Tribromophenol)


  Mrv1652305261923562D          

 10 10  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   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
   -0.7145   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
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3D MOL for HMDB0029642 (2,4,6-Tribromophenol)

HMDB0029642
     RDKit          3D
2,4,6-Tribromophenol
 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.5424    0.0733    0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439    0.0013    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3474    1.1269    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1783    2.8238    0.2074 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0299    1.0523    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6658   -0.1683   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641   -0.2861   -0.1109 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8908   -1.3040   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861   -1.2087   -0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5701   -2.7858   -0.1332 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9465    0.9988    0.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6628    1.9294    0.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012   -2.2530   -0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9  2  1  0
  1 11  1  0
  5 12  1  0
  8 13  1  0
M  END
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3D SDF for HMDB0029642 (2,4,6-Tribromophenol)


  Mrv1652305261923562D          

 10 10  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   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
   -0.7145   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029642

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1=C(Br)C=C(Br)C=C1Br

> <INCHI_IDENTIFIER>
InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

> <INCHI_KEY>
BSWWXRFVMJHFBN-UHFFFAOYSA-N

> <FORMULA>
C6H3Br3O

> <MOLECULAR_WEIGHT>
330.799

> <EXACT_MASS>
327.773402659

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
19.916751889581278

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,4,6-tribromophenol

> <ALOGPS_LOGP>
4.20

> <JCHEM_LOGP>
3.975938370333333

> <ALOGPS_LOGS>
-3.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.340603911216874

> <JCHEM_PKA_STRONGEST_BASIC>
-7.705769676711728

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
50.907300000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.45e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,4,6-tribromophenol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0029642 (2,4,6-Tribromophenol)

HMDB0029642
     RDKit          3D
2,4,6-Tribromophenol
 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.5424    0.0733    0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439    0.0013    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3474    1.1269    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1783    2.8238    0.2074 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0299    1.0523    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6658   -0.1683   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641   -0.2861   -0.1109 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8908   -1.3040   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861   -1.2087   -0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5701   -2.7858   -0.1332 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9465    0.9988    0.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6628    1.9294    0.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012   -2.2530   -0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9  2  1  0
  1 11  1  0
  5 12  1  0
  8 13  1  0
M  END
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PDB for HMDB0029642 (2,4,6-Tribromophenol)

HEADER    PROTEIN                                 26-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-19         0                                  
HETATM    1  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    4 Br   UNK     0       4.001  -0.770   0.000  0.00  0.00          Br+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7 Br   UNK     0      -1.334  -0.770   0.000  0.00  0.00          Br+0
HETATM    8  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10 Br   UNK     0       1.334   3.850   0.000  0.00  0.00          Br+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8    2   10                                                  
CONECT   10    9                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0029642 (2,4,6-Tribromophenol)

COMPND    HMDB0029642
HETATM    1  O1  UNL     1      -2.542   0.073   0.071  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.144   0.001   0.030  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.347   1.127   0.080  1.00  0.00           C  
HETATM    4 BR1  UNL     1      -1.178   2.824   0.207  1.00  0.00          BR  
HETATM    5  C3  UNL     1       1.030   1.052   0.039  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.666  -0.168  -0.054  1.00  0.00           C  
HETATM    7 BR2  UNL     1       3.564  -0.286  -0.111  1.00  0.00          BR  
HETATM    8  C5  UNL     1       0.891  -1.304  -0.105  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.486  -1.209  -0.063  1.00  0.00           C  
HETATM   10 BR3  UNL     1      -1.570  -2.786  -0.133  1.00  0.00          BR  
HETATM   11  H1  UNL     1      -2.947   0.999   0.139  1.00  0.00           H  
HETATM   12  H2  UNL     1       1.663   1.929   0.077  1.00  0.00           H  
HETATM   13  H3  UNL     1       1.401  -2.253  -0.177  1.00  0.00           H  
CONECT    1    2   11
CONECT    2    3    3    9
CONECT    3    4    5
CONECT    5    6    6   12
CONECT    6    7    8
CONECT    8    9    9   13
CONECT    9   10
END
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SMILES for HMDB0029642 (2,4,6-Tribromophenol)

OC1=C(Br)C=C(Br)C=C1Br
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INCHI for HMDB0029642 (2,4,6-Tribromophenol)

InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2,4,6-TBPChEBI
BromolChEBI
TribromophenolChEBI
XeroformChEBI
2,4,6-Tribromo-3-methylphenolHMDB
2,4,6-Tribromo-m-cresolHMDB
2,4,6-Tribromo-phenolHMDB
2,4,6-Tribromophenol, bismuth (3+) saltHMDB
5175-83-7 (Bismuth(3+) salt)HMDB
Bismuth tribromophenateHMDB
Bromkal pur 3HMDB
C6H3BR3OHMDB
Flammex 3BPHMDB
Great lakes PH-73HMDB
MicatexHMDB
TBPHMDB
Chemical FormulaC6H3Br3O
Average Molecular Weight330.799
Monoisotopic Molecular Weight327.773402659
IUPAC Name2,4,6-tribromophenol
Traditional Name2,4,6-tribromophenol
CAS Registry Number118-79-6
SMILES
OC1=C(Br)C=C(Br)C=C1Br
InChI Identifier
InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChI KeyBSWWXRFVMJHFBN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as p-bromophenols. These are bromophenols carrying a iodine at the C4 position of the benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassHalophenols
Direct ParentP-bromophenols
Alternative Parents
Substituents
  • 4-bromophenol
  • 2-bromophenol
  • Halobenzene
  • Bromobenzene
  • Monocyclic benzene moiety
  • Aryl halide
  • Aryl bromide
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organobromide
  • Organohalogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Industrial applicationEnvironmental role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point87 - 89 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.07 mg/mL at 15 °CNot Available
LogP4.13Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.054 g/LALOGPS
logP4.2ALOGPS
logP3.98ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)6.34ChemAxon
pKa (Strongest Basic)-7.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity50.91 m³·mol⁻¹ChemAxon
Polarizability19.92 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+130.530932474
DeepCCS[M-H]-126.67230932474
DeepCCS[M-2H]-164.12230932474
DeepCCS[M+Na]+139.55130932474
AllCCS[M+H]+156.432859911
AllCCS[M+H-H2O]+152.732859911
AllCCS[M+NH4]+159.732859911
AllCCS[M+Na]+160.732859911
AllCCS[M-H]-139.632859911
AllCCS[M+Na-2H]-141.632859911
AllCCS[M+HCOO]-143.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2,4,6-TribromophenolOC1=C(Br)C=C(Br)C=C1Br2686.0Standard polar33892256
2,4,6-TribromophenolOC1=C(Br)C=C(Br)C=C1Br1591.9Standard non polar33892256
2,4,6-TribromophenolOC1=C(Br)C=C(Br)C=C1Br1659.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2,4,6-Tribromophenol,1TMS,isomer #1C[Si](C)(C)OC1=C(Br)C=C(Br)C=C1Br1762.5Semi standard non polar33892256
2,4,6-Tribromophenol,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=C(Br)C=C(Br)C=C1Br2065.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - 2,4,6-Tribromophenol EI-B (Non-derivatized)splash10-0059-3329000000-8507237252f6c68a3e562017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 2,4,6-Tribromophenol EI-B (Non-derivatized)splash10-0059-3329000000-8507237252f6c68a3e562018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,4,6-Tribromophenol GC-MS (Non-derivatized) - 70eV, Positivesplash10-0059-0119000000-1a9e2f72fef4a0ac81112017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,4,6-Tribromophenol GC-MS (1 TMS) - 70eV, Positivesplash10-00di-7109000000-97e2aa9549b71aa7b5892017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,4,6-Tribromophenol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-01q9-9318000000-c2e1e322c2756de014c52014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - 2,4,6-Tribromophenol LC-ESI-QFT , negative-QTOFsplash10-004i-0009000000-d4bc5a4018393fbac0dd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2,4,6-Tribromophenol 15V, Negative-QTOFsplash10-004i-0009000000-005521cf47da21fc692d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2,4,6-Tribromophenol 30V, Negative-QTOFsplash10-004i-4009000000-1059d4513edc2f692cd92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2,4,6-Tribromophenol 60V, Negative-QTOFsplash10-004i-9000000000-edf8868f71d375c66c8f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2,4,6-Tribromophenol 45V, Negative-QTOFsplash10-004i-9001000000-2cb087e2b10227d4bc582021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2,4,6-Tribromophenol 35V, Negative-QTOFsplash10-004i-0009000000-c643b3283b22198481e02021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2,4,6-Tribromophenol 75V, Negative-QTOFsplash10-004i-9000000000-6b0acd4d149e1fb20f9a2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 10V, Positive-QTOFsplash10-004i-0009000000-ac0c6cf1e753ce0f5f4c2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 20V, Positive-QTOFsplash10-004i-0019000000-351eee795291f1b9df502016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 40V, Positive-QTOFsplash10-0002-0093000000-428567fe0f8a5c2154072016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 10V, Negative-QTOFsplash10-004i-0009000000-5d313196ac3f5efd612b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 20V, Negative-QTOFsplash10-004i-0009000000-5d313196ac3f5efd612b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 40V, Negative-QTOFsplash10-004i-0009000000-bc986254cad6944c4f3f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 10V, Negative-QTOFsplash10-004i-0009000000-1c737efeb82cd27080382021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 20V, Negative-QTOFsplash10-004i-0009000000-1c737efeb82cd27080382021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 40V, Negative-QTOFsplash10-004i-2109000000-b82a427abd657f50a8b52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 10V, Positive-QTOFsplash10-004i-0009000000-0a0c5a8748582063dfc32021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 20V, Positive-QTOFsplash10-004i-0009000000-0a0c5a8748582063dfc32021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,4,6-Tribromophenol 40V, Positive-QTOFsplash10-002e-0945000000-f1ab499d0d7a288d21142021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB02417
Phenol Explorer Compound IDNot Available
FooDB IDFDB000813
KNApSAcK IDC00033540
Chemspider ID1438
KEGG Compound IDC14454
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link2,4,6-tribromophenol
METLIN IDNot Available
PubChem Compound1483
PDB IDTBP
ChEBI ID47696
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1162831
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Oliveira AS, Silva VM, Veloso MC, Santos GV, Andrade JB: Bromophenol concentrations in fish from Salvador, BA, Brazil. An Acad Bras Cienc. 2009 Jun;81(2):165-72. [PubMed:19488620 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .