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Showing metabocard for m-Tyramine (HMDB0004989)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:17:06 UTC
HMDB IDHMDB0004989
Secondary Accession Numbers
  • HMDB04989
Metabolite Identification
Common Namem-Tyramine
Descriptionm-Tyramine belongs to the class of organic compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. m-Tyramine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make m-tyramine a potential biomarker for the consumption of these foods. m-Tyramine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on m-Tyramine.
Structure
Data?1676999826
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0004989 (m-Tyramine)


  Mrv0541 02231220192D          

 10 10  0  0  0  0            999 V2000
   14.3672  -11.5322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5107   -7.8196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5107   -8.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7962   -9.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0817  -11.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7962   -9.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0817  -10.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7962  -11.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5107  -10.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5107  -11.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
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3D MOL for HMDB0004989 (m-Tyramine)

HMDB0004989
     RDKit          3D
m-Tyramine
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.1004    0.0948   -1.5794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183   -0.2015   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720   -0.9838    0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710   -0.3123    0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    0.5391    1.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5410    1.1348    1.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4381    0.8872    0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790    0.0388   -0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702   -0.2293   -1.4816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -0.5514   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9856    0.3670   -2.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3129    0.7262   -1.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3595   -0.7873   -0.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5874    0.7391    0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2305   -1.9790    0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302   -1.1373    1.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    0.7328    2.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263    1.8082    2.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4272    1.3445    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.0215   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070   -1.2092   -1.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  9 20  1  0
 10 21  1  0
M  END
Download

3D SDF for HMDB0004989 (m-Tyramine)


  Mrv0541 02231220192D          

 10 10  0  0  0  0            999 V2000
   14.3672  -11.5322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5107   -7.8196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5107   -8.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7962   -9.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0817  -11.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7962   -9.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0817  -10.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7962  -11.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5107  -10.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5107  -11.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0004989

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCC1=CC(O)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2

> <INCHI_KEY>
GHFGJTVYMNRGBY-UHFFFAOYSA-N

> <FORMULA>
C8H11NO

> <MOLECULAR_WEIGHT>
137.179

> <EXACT_MASS>
137.084063979

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
15.284123863536053

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(2-aminoethyl)phenol

> <ALOGPS_LOGP>
-0.17

> <JCHEM_LOGP>
0.6382833773964028

> <ALOGPS_LOGS>
-1.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.269895699404518

> <JCHEM_PKA_STRONGEST_BASIC>
9.577934566334948

> <JCHEM_POLAR_SURFACE_AREA>
46.25

> <JCHEM_REFRACTIVITY>
41.267300000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.82e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
m-tyramine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0004989 (m-Tyramine)

HMDB0004989
     RDKit          3D
m-Tyramine
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.1004    0.0948   -1.5794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183   -0.2015   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720   -0.9838    0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710   -0.3123    0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    0.5391    1.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5410    1.1348    1.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4381    0.8872    0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790    0.0388   -0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702   -0.2293   -1.4816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -0.5514   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9856    0.3670   -2.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3129    0.7262   -1.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3595   -0.7873   -0.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5874    0.7391    0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2305   -1.9790    0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302   -1.1373    1.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    0.7328    2.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263    1.8082    2.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4272    1.3445    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.0215   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070   -1.2092   -1.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  9 20  1  0
 10 21  1  0
M  END
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PDB for HMDB0004989 (m-Tyramine)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      26.819 -21.527   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0      30.820 -14.597   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      30.820 -16.137   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      29.486 -16.907   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      28.152 -20.757   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      29.486 -18.447   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      28.152 -19.217   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      29.486 -21.527   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      30.820 -19.217   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      30.820 -20.757   0.000  0.00  0.00           C+0
CONECT    1    5                                                            
CONECT    2    3                                                            
CONECT    3    2    4                                                       
CONECT    4    3    6                                                       
CONECT    5    1    7    8                                                  
CONECT    6    4    7    9                                                  
CONECT    7    5    6                                                       
CONECT    8    5   10                                                       
CONECT    9    6   10                                                       
CONECT   10    8    9                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0004989 (m-Tyramine)

COMPND    HMDB0004989
HETATM    1  N1  UNL     1      -2.100   0.095  -1.579  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.418  -0.201  -0.229  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.372  -0.984   0.506  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.071  -0.312   0.583  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.290   0.539   1.609  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.541   1.135   1.608  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.438   0.887   0.588  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.079   0.039  -0.435  1.00  0.00           C  
HETATM    9  O1  UNL     1       2.970  -0.229  -1.482  1.00  0.00           O  
HETATM   10  C8  UNL     1       0.835  -0.551  -0.430  1.00  0.00           C  
HETATM   11  H1  UNL     1      -2.986   0.367  -2.084  1.00  0.00           H  
HETATM   12  H2  UNL     1      -1.313   0.726  -1.735  1.00  0.00           H  
HETATM   13  H3  UNL     1      -3.359  -0.787  -0.200  1.00  0.00           H  
HETATM   14  H4  UNL     1      -2.587   0.739   0.356  1.00  0.00           H  
HETATM   15  H5  UNL     1      -1.231  -1.979   0.013  1.00  0.00           H  
HETATM   16  H6  UNL     1      -1.730  -1.137   1.550  1.00  0.00           H  
HETATM   17  H7  UNL     1      -0.428   0.733   2.418  1.00  0.00           H  
HETATM   18  H8  UNL     1       1.826   1.808   2.419  1.00  0.00           H  
HETATM   19  H9  UNL     1       3.427   1.345   0.566  1.00  0.00           H  
HETATM   20  H10 UNL     1       3.583  -1.021  -1.333  1.00  0.00           H  
HETATM   21  H11 UNL     1       0.607  -1.209  -1.260  1.00  0.00           H  
CONECT    1    2   11   12
CONECT    2    3   13   14
CONECT    3    4   15   16
CONECT    4    5    5   10
CONECT    5    6   17
CONECT    6    7    7   18
CONECT    7    8   19
CONECT    8    9   10   10
CONECT    9   20
CONECT   10   21
END
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SMILES for HMDB0004989 (m-Tyramine)

NCCC1=CC(O)=CC=C1
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INCHI for HMDB0004989 (m-Tyramine)

InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-(3-Hydroxyphenyl)ethylamineChEBI
3-(2-Aminoethyl)phenolChEBI
3-HydroxyphenethylamineChEBI
3-HydroxyphenylethylamineChEBI
3-TyramineChEBI
m-HydroxyphenethylamineChEBI
Meta-tyramineChEBI
MetatyramineHMDB
3-Tyramine hydrobromideMeSH, HMDB
3-Tyramine hydrochlorideMeSH, HMDB
m-TyramineMeSH
Chemical FormulaC8H11NO
Average Molecular Weight137.179
Monoisotopic Molecular Weight137.084063979
IUPAC Name3-(2-aminoethyl)phenol
Traditional Namem-tyramine
CAS Registry Number588-05-6
SMILES
NCCC1=CC(O)=CC=C1
InChI Identifier
InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
InChI KeyGHFGJTVYMNRGBY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenethylamines
Direct ParentPhenethylamines
Alternative Parents
Substituents
  • Phenethylamine
  • 2-arylethylamine
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Aralkylamine
  • Amine
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Primary amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Health effect
Disposition
Biological locationSource
ProcessNot Available
Role
Industrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point164 - 165 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility10.4 mg/mL at 15 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility6.82 g/LALOGPS
logP-0.17ALOGPS
logP0.64ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)10.27ChemAxon
pKa (Strongest Basic)9.58ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area46.25 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity41.27 m³·mol⁻¹ChemAxon
Polarizability15.28 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+127.96431661259
DarkChem[M-H]-125.22931661259
DeepCCS[M+H]+128.72830932474
DeepCCS[M-H]-125.19130932474
DeepCCS[M-2H]-162.68230932474
DeepCCS[M+Na]+137.76730932474
AllCCS[M+H]+129.632859911
AllCCS[M+H-H2O]+125.032859911
AllCCS[M+NH4]+133.932859911
AllCCS[M+Na]+135.232859911
AllCCS[M-H]-128.932859911
AllCCS[M+Na-2H]-130.632859911
AllCCS[M+HCOO]-132.532859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.1.83 minutes32390414
Predicted by Siyang on May 30, 20228.9739 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20224.76 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid211.8 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid546.7 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid307.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid102.3 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid177.8 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid72.3 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid277.1 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid258.4 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)722.7 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid646.5 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid148.4 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid675.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid187.8 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid230.9 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate585.8 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA460.6 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water154.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
m-TyramineNCCC1=CC(O)=CC=C12360.0Standard polar33892256
m-TyramineNCCC1=CC(O)=CC=C11516.4Standard non polar33892256
m-TyramineNCCC1=CC(O)=CC=C11433.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
m-Tyramine,1TMS,isomer #1C[Si](C)(C)OC1=CC=CC(CCN)=C11466.4Semi standard non polar33892256
m-Tyramine,1TMS,isomer #2C[Si](C)(C)NCCC1=CC=CC(O)=C11640.1Semi standard non polar33892256
m-Tyramine,2TMS,isomer #1C[Si](C)(C)NCCC1=CC=CC(O[Si](C)(C)C)=C11610.6Semi standard non polar33892256
m-Tyramine,2TMS,isomer #1C[Si](C)(C)NCCC1=CC=CC(O[Si](C)(C)C)=C11650.9Standard non polar33892256
m-Tyramine,2TMS,isomer #1C[Si](C)(C)NCCC1=CC=CC(O[Si](C)(C)C)=C11730.2Standard polar33892256
m-Tyramine,2TMS,isomer #2C[Si](C)(C)N(CCC1=CC=CC(O)=C1)[Si](C)(C)C1840.5Semi standard non polar33892256
m-Tyramine,2TMS,isomer #2C[Si](C)(C)N(CCC1=CC=CC(O)=C1)[Si](C)(C)C1876.5Standard non polar33892256
m-Tyramine,2TMS,isomer #2C[Si](C)(C)N(CCC1=CC=CC(O)=C1)[Si](C)(C)C1922.9Standard polar33892256
m-Tyramine,3TMS,isomer #1C[Si](C)(C)OC1=CC=CC(CCN([Si](C)(C)C)[Si](C)(C)C)=C11844.7Semi standard non polar33892256
m-Tyramine,3TMS,isomer #1C[Si](C)(C)OC1=CC=CC(CCN([Si](C)(C)C)[Si](C)(C)C)=C11828.3Standard non polar33892256
m-Tyramine,3TMS,isomer #1C[Si](C)(C)OC1=CC=CC(CCN([Si](C)(C)C)[Si](C)(C)C)=C11732.7Standard polar33892256
m-Tyramine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=CC(CCN)=C11704.6Semi standard non polar33892256
m-Tyramine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC1=CC=CC(O)=C11855.2Semi standard non polar33892256
m-Tyramine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C12081.5Semi standard non polar33892256
m-Tyramine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C12101.2Standard non polar33892256
m-Tyramine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C12018.6Standard polar33892256
m-Tyramine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCC1=CC=CC(O)=C1)[Si](C)(C)C(C)(C)C2237.5Semi standard non polar33892256
m-Tyramine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCC1=CC=CC(O)=C1)[Si](C)(C)C(C)(C)C2278.8Standard non polar33892256
m-Tyramine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCC1=CC=CC(O)=C1)[Si](C)(C)C(C)(C)C2088.7Standard polar33892256
m-Tyramine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=CC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C12506.6Semi standard non polar33892256
m-Tyramine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=CC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C12417.6Standard non polar33892256
m-Tyramine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=CC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C12094.0Standard polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.000038 +/- 0.000011 uMAdult (>18 years old)Not SpecifiedNormal details
UrineDetected and Quantified0.280 (0.152-0.408) umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.00034 +/- 0.0000875 uMAdult (>18 years old)BothHypertension details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Metastatic melanoma		 details
Associated Disorders and Diseases
Disease References
Hypertension
  1. Andrew R, Best SA, Watson DG, Midgley JM, Reid JL, Squire IB: Analysis of biogenic amines in plasma of hypertensive patients and a control group. Neurochem Res. 1993 Nov;18(11):1179-82. [PubMed:8255371 ]
Metastatic melanoma
  1. Frankel AE, Coughlin LA, Kim J, Froehlich TW, Xie Y, Frenkel EP, Koh AY: Metagenomic Shotgun Sequencing and Unbiased Metabolomic Profiling Identify Specific Human Gut Microbiota and Metabolites Associated with Immune Checkpoint Therapy Efficacy in Melanoma Patients. Neoplasia. 2017 Oct;19(10):848-855. doi: 10.1016/j.neo.2017.08.004. Epub 2017 Sep 15. [PubMed:28923537 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023573
KNApSAcK IDNot Available
Chemspider ID11008
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMeta-Tyramine
METLIN ID7240
PubChem Compound11492
PDB IDNot Available
ChEBI ID89626
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000465
Good Scents IDNot Available
References
Synthesis ReferenceFalck, B.; Hillarp, N. A.; Thieme, G.; Torp, A. Fluorescence of catecholamines and related compounds condensed with formaldehyde. Brain Research Bulletin (1982), 9(1-6), xi-xv.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Andrew R, Watson DG, Best SA, Midgley JM, Wenlong H, Petty RK: The determination of hydroxydopamines and other trace amines in the urine of parkinsonian patients and normal controls. Neurochem Res. 1993 Nov;18(11):1175-7. [PubMed:8255370 ]
  2. Durden DA, Davis BA: Determination of regional distributions of phenylethylamine and meta- and para-tyramine in rat brain regions and presence in human and dog plasma by an ultra-sensitive negative chemical ion gas chromatography-mass spectrometric (NCI-GC-MS) method. Neurochem Res. 1993 Sep;18(9):995-1002. [PubMed:8232728 ]
  3. Boulton AA, Huebert ND: Biosynthesis of some urinary trace amines in the rat and the human. Res Commun Chem Pathol Pharmacol. 1981 Nov;34(2):295-310. [PubMed:7335956 ]