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Showing metabocard for 6-Hydroxydopamine (HMDB0001537)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:15:46 UTC
HMDB IDHMDB0001537
Secondary Accession Numbers
  • HMDB01537
Metabolite Identification
Common Name6-Hydroxydopamine
Description6-Hydroxydopamine, also known as 6-OHDA or oxidopamina, belongs to the class of organic compounds known as catecholamines and derivatives. Catecholamines and derivatives are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution. The main use for oxidopamine in scientific research is to induce Parkinsonism in laboratory animals such as mice, rats and monkeys, in order to develop and test new medicines and treatments for Parkinson's disease. In order to induce this condition in animals, around 70% of the dopaminergic neurons in the substantia nigra of the brain must be destroyed, and this is achieved either with oxidopamine or MPTP. 6-OHDA is thought to enter the neurons via the dopamine and noradrenaline (norepinephrine) reuptake transporters. Oxidopamine toxicity in neonatal rodents is also used as an animal model for the Lesch-Nyhan syndrome. Both these agents likely destroy neurons by generating reactive oxygen species such as superoxide radical. Oxidopamine is often used in conjunction with a selective noradrenaline reuptake inhibitor (such as desipramine) to selectively destroy dopaminergic neurons.
Structure
Data?1676999746
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001537 (6-Hydroxydopamine)


  Mrv1652305271900002D          

 12 12  0  0  0  0            999 V2000
   10.0974   -6.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0974   -5.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8064   -6.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3713   -6.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8064   -5.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3713   -5.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5283   -6.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623   -6.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5283   -5.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2373   -6.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404   -6.8109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2373   -5.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
  9  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
Download

3D MOL for HMDB0001537 (6-Hydroxydopamine)

HMDB0001537
     RDKit          3D
6-Hydroxydopamine
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.8619    0.5105    0.0620 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    0.8348    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6581   -0.3938   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1986   -0.2311   -0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542    0.9341    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8528    1.0171    0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550    2.2385    0.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362   -0.0915   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0293   -0.0729   -0.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -1.2872   -0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5791   -1.3611   -0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0692   -2.5701   -0.5399 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2025    0.3390    1.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -0.3529   -0.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2572    1.5687   -0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2716    1.3532    1.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134   -0.7785   -1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593   -1.1927    0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0859    1.8244    0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    2.4341    0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4867    0.8005    0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5737   -2.1576   -0.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5317   -3.3654   -0.6976 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  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11  4  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 12 23  1  0
M  END
Download

3D SDF for HMDB0001537 (6-Hydroxydopamine)


  Mrv1652305271900002D          

 12 12  0  0  0  0            999 V2000
   10.0974   -6.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0974   -5.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8064   -6.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3713   -6.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8064   -5.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3713   -5.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5283   -6.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623   -6.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5283   -5.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2373   -6.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404   -6.8109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2373   -5.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
  9  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001537

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2

> <INCHI_KEY>
DIVDFFZHCJEHGG-UHFFFAOYSA-N

> <FORMULA>
C8H11NO3

> <MOLECULAR_WEIGHT>
169.1778

> <EXACT_MASS>
169.073893223

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
17.026691547451833

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-(2-aminoethyl)benzene-1,2,4-triol

> <ALOGPS_LOGP>
-0.91

> <JCHEM_LOGP>
-0.15399320862122998

> <ALOGPS_LOGS>
-1.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.204506395147074

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.85131217970219

> <JCHEM_PKA_STRONGEST_BASIC>
9.174759393668817

> <JCHEM_POLAR_SURFACE_AREA>
86.71000000000001

> <JCHEM_REFRACTIVITY>
45.229099999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.08e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hydroxydopamine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0001537 (6-Hydroxydopamine)

HMDB0001537
     RDKit          3D
6-Hydroxydopamine
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.8619    0.5105    0.0620 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    0.8348    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6581   -0.3938   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1986   -0.2311   -0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542    0.9341    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8528    1.0171    0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550    2.2385    0.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362   -0.0915   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0293   -0.0729   -0.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -1.2872   -0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5791   -1.3611   -0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0692   -2.5701   -0.5399 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2025    0.3390    1.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -0.3529   -0.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2572    1.5687   -0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2716    1.3532    1.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134   -0.7785   -1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593   -1.1927    0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0859    1.8244    0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    2.4341    0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4867    0.8005    0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5737   -2.1576   -0.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5317   -3.3654   -0.6976 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  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11  4  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 12 23  1  0
M  END
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PDB for HMDB0001537 (6-Hydroxydopamine)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  C   UNK     0      18.848 -11.952   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.848 -10.412   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.172 -12.714   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.493 -12.714   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      20.172  -9.626   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      17.493  -9.626   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      21.519 -11.952   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.170 -11.952   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      21.519 -10.412   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      22.843 -12.714   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      14.822 -12.714   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0      22.843  -9.626   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8                                                       
CONECT    5    2    9                                                       
CONECT    6    2                                                            
CONECT    7    3   10    9                                                  
CONECT    8    4   11                                                       
CONECT    9    5    7   12                                                  
CONECT   10    7                                                            
CONECT   11    8                                                            
CONECT   12    9                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0001537 (6-Hydroxydopamine)

COMPND    HMDB0001537
HETATM    1  N1  UNL     1       3.862   0.510   0.062  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.448   0.835   0.137  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.658  -0.394  -0.108  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.199  -0.231  -0.066  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.454   0.934   0.174  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.853   1.017   0.200  1.00  0.00           C  
HETATM    7  O1  UNL     1      -2.455   2.238   0.451  1.00  0.00           O  
HETATM    8  C6  UNL     1      -2.636  -0.092  -0.020  1.00  0.00           C  
HETATM    9  O2  UNL     1      -4.029  -0.073  -0.008  1.00  0.00           O  
HETATM   10  C7  UNL     1      -1.955  -1.287  -0.267  1.00  0.00           C  
HETATM   11  C8  UNL     1      -0.579  -1.361  -0.291  1.00  0.00           C  
HETATM   12  O3  UNL     1       0.069  -2.570  -0.540  1.00  0.00           O  
HETATM   13  H1  UNL     1       4.203   0.339   1.032  1.00  0.00           H  
HETATM   14  H2  UNL     1       4.043  -0.353  -0.492  1.00  0.00           H  
HETATM   15  H3  UNL     1       2.257   1.569  -0.697  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.272   1.353   1.070  1.00  0.00           H  
HETATM   17  H5  UNL     1       1.913  -0.779  -1.120  1.00  0.00           H  
HETATM   18  H6  UNL     1       1.959  -1.193   0.600  1.00  0.00           H  
HETATM   19  H7  UNL     1       0.086   1.824   0.352  1.00  0.00           H  
HETATM   20  H8  UNL     1      -3.416   2.434   0.497  1.00  0.00           H  
HETATM   21  H9  UNL     1      -4.487   0.801   0.172  1.00  0.00           H  
HETATM   22  H10 UNL     1      -2.574  -2.158  -0.440  1.00  0.00           H  
HETATM   23  H11 UNL     1      -0.532  -3.365  -0.698  1.00  0.00           H  
CONECT    1    2   13   14
CONECT    2    3   15   16
CONECT    3    4   17   18
CONECT    4    5    5   11
CONECT    5    6   19
CONECT    6    7    8    8
CONECT    7   20
CONECT    8    9   10
CONECT    9   21
CONECT   10   11   11   22
CONECT   11   12
CONECT   12   23
END
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SMILES for HMDB0001537 (6-Hydroxydopamine)

NCCC1=C(O)C=C(O)C(O)=C1
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INCHI for HMDB0001537 (6-Hydroxydopamine)

InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2,4,5-TrihydroxyphenethylamineChEBI
6-OHDAChEBI
HydroxydopamineChEBI
OxidopaminaChEBI
OxidopaminumChEBI
TopamineChEBI
5-(2-Aminoethyl)-1,2,4-benzenetriolHMDB
6-Hydroxy-dopamineHMDB
Oxidopamine hydrochlorideMeSH, HMDB
Oxidopamine hydrobromideMeSH, HMDB
6 HydroxydopamineMeSH, HMDB
Hydrochloride, oxidopamineMeSH, HMDB
Hydrobromide, oxidopamineMeSH, HMDB
6-HydroxydopamineChEBI
OxidopamineMeSH
Chemical FormulaC8H11NO3
Average Molecular Weight169.1778
Monoisotopic Molecular Weight169.073893223
IUPAC Name5-(2-aminoethyl)benzene-1,2,4-triol
Traditional Namehydroxydopamine
CAS Registry Number1199-18-4
SMILES
NCCC1=C(O)C=C(O)C(O)=C1
InChI Identifier
InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
InChI KeyDIVDFFZHCJEHGG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catecholamines and derivatives. Catecholamines and derivatives are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassBenzenediols
Direct ParentCatecholamines and derivatives
Alternative Parents
Substituents
  • Catecholamine
  • Hydroxyquinol derivative
  • Phenethylamine
  • 2-arylethylamine
  • Aralkylamine
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Polyol
  • Amine
  • Hydrocarbon derivative
  • Primary amine
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point232 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available143.3http://allccs.zhulab.cn/database/detail?ID=AllCCS00002189
Predicted Molecular Properties
PropertyValueSource
Water Solubility6.08 g/LALOGPS
logP-0.91ALOGPS
logP-0.15ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)9.85ChemAxon
pKa (Strongest Basic)9.17ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area86.71 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity45.23 m³·mol⁻¹ChemAxon
Polarizability17.03 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+135.61131661259
DarkChem[M-H]-132.70631661259
AllCCS[M+H]+137.53732859911
AllCCS[M-H]-135.06832859911
DeepCCS[M+H]+138.37230932474
DeepCCS[M-H]-134.54330932474
DeepCCS[M-2H]-172.2730932474
DeepCCS[M+Na]+147.80930932474
AllCCS[M+H]+137.532859911
AllCCS[M+H-H2O]+133.232859911
AllCCS[M+NH4]+141.632859911
AllCCS[M+Na]+142.732859911
AllCCS[M-H]-135.132859911
AllCCS[M+Na-2H]-136.232859911
AllCCS[M+HCOO]-137.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
6-HydroxydopamineNCCC1=C(O)C=C(O)C(O)=C13124.7Standard polar33892256
6-HydroxydopamineNCCC1=C(O)C=C(O)C(O)=C12225.7Standard non polar33892256
6-HydroxydopamineNCCC1=C(O)C=C(O)C(O)=C11927.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
6-Hydroxydopamine,1TMS,isomer #1C[Si](C)(C)OC1=CC(O)=C(O)C=C1CCN1908.7Semi standard non polar33892256
6-Hydroxydopamine,1TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C(CCN)C=C1O1869.1Semi standard non polar33892256
6-Hydroxydopamine,1TMS,isomer #3C[Si](C)(C)OC1=CC(CCN)=C(O)C=C1O1873.4Semi standard non polar33892256
6-Hydroxydopamine,1TMS,isomer #4C[Si](C)(C)NCCC1=CC(O)=C(O)C=C1O2084.8Semi standard non polar33892256
6-Hydroxydopamine,2TMS,isomer #1C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CCN)C=C1O1834.9Semi standard non polar33892256
6-Hydroxydopamine,2TMS,isomer #2C[Si](C)(C)OC1=CC(CCN)=C(O[Si](C)(C)C)C=C1O1846.4Semi standard non polar33892256
6-Hydroxydopamine,2TMS,isomer #3C[Si](C)(C)NCCC1=CC(O)=C(O)C=C1O[Si](C)(C)C2040.6Semi standard non polar33892256
6-Hydroxydopamine,2TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C(CCN)C=C1O[Si](C)(C)C1840.9Semi standard non polar33892256
6-Hydroxydopamine,2TMS,isomer #5C[Si](C)(C)NCCC1=CC(O)=C(O[Si](C)(C)C)C=C1O2018.6Semi standard non polar33892256
6-Hydroxydopamine,2TMS,isomer #6C[Si](C)(C)NCCC1=CC(O[Si](C)(C)C)=C(O)C=C1O2022.6Semi standard non polar33892256
6-Hydroxydopamine,2TMS,isomer #7C[Si](C)(C)N(CCC1=CC(O)=C(O)C=C1O)[Si](C)(C)C2263.4Semi standard non polar33892256
6-Hydroxydopamine,3TMS,isomer #1C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1CCN1880.6Semi standard non polar33892256
6-Hydroxydopamine,3TMS,isomer #2C[Si](C)(C)NCCC1=CC(O)=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C1989.0Semi standard non polar33892256
6-Hydroxydopamine,3TMS,isomer #3C[Si](C)(C)NCCC1=CC(O[Si](C)(C)C)=C(O)C=C1O[Si](C)(C)C1992.5Semi standard non polar33892256
6-Hydroxydopamine,3TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C(O)C=C1CCN([Si](C)(C)C)[Si](C)(C)C2227.9Semi standard non polar33892256
6-Hydroxydopamine,3TMS,isomer #5C[Si](C)(C)NCCC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O1999.8Semi standard non polar33892256
6-Hydroxydopamine,3TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C(CCN([Si](C)(C)C)[Si](C)(C)C)C=C1O2208.2Semi standard non polar33892256
6-Hydroxydopamine,3TMS,isomer #7C[Si](C)(C)OC1=CC(CCN([Si](C)(C)C)[Si](C)(C)C)=C(O)C=C1O2216.6Semi standard non polar33892256
6-Hydroxydopamine,4TMS,isomer #1C[Si](C)(C)NCCC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C2046.9Semi standard non polar33892256
6-Hydroxydopamine,4TMS,isomer #1C[Si](C)(C)NCCC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C2080.8Standard non polar33892256
6-Hydroxydopamine,4TMS,isomer #1C[Si](C)(C)NCCC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C1997.5Standard polar33892256
6-Hydroxydopamine,4TMS,isomer #2C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CCN([Si](C)(C)C)[Si](C)(C)C)C=C1O2201.3Semi standard non polar33892256
6-Hydroxydopamine,4TMS,isomer #2C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CCN([Si](C)(C)C)[Si](C)(C)C)C=C1O2246.4Standard non polar33892256
6-Hydroxydopamine,4TMS,isomer #2C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(CCN([Si](C)(C)C)[Si](C)(C)C)C=C1O2139.4Standard polar33892256
6-Hydroxydopamine,4TMS,isomer #3C[Si](C)(C)OC1=CC(CCN([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2199.7Semi standard non polar33892256
6-Hydroxydopamine,4TMS,isomer #3C[Si](C)(C)OC1=CC(CCN([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2241.0Standard non polar33892256
6-Hydroxydopamine,4TMS,isomer #3C[Si](C)(C)OC1=CC(CCN([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2142.2Standard polar33892256
6-Hydroxydopamine,4TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C(CCN([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C2204.3Semi standard non polar33892256
6-Hydroxydopamine,4TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C(CCN([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C2239.4Standard non polar33892256
6-Hydroxydopamine,4TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C(CCN([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C2128.2Standard polar33892256
6-Hydroxydopamine,5TMS,isomer #1C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1CCN([Si](C)(C)C)[Si](C)(C)C2272.6Semi standard non polar33892256
6-Hydroxydopamine,5TMS,isomer #1C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1CCN([Si](C)(C)C)[Si](C)(C)C2188.4Standard non polar33892256
6-Hydroxydopamine,5TMS,isomer #1C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1CCN([Si](C)(C)C)[Si](C)(C)C2018.1Standard polar33892256
6-Hydroxydopamine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O)=C(O)C=C1CCN2168.0Semi standard non polar33892256
6-Hydroxydopamine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CCN)C=C1O2136.4Semi standard non polar33892256
6-Hydroxydopamine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(CCN)=C(O)C=C1O2133.1Semi standard non polar33892256
6-Hydroxydopamine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC1=CC(O)=C(O)C=C1O2344.8Semi standard non polar33892256
6-Hydroxydopamine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(CCN)C=C1O2305.6Semi standard non polar33892256
6-Hydroxydopamine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(CCN)=C(O[Si](C)(C)C(C)(C)C)C=C1O2313.8Semi standard non polar33892256
6-Hydroxydopamine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCC1=CC(O)=C(O)C=C1O[Si](C)(C)C(C)(C)C2504.6Semi standard non polar33892256
6-Hydroxydopamine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CCN)C=C1O[Si](C)(C)C(C)(C)C2309.6Semi standard non polar33892256
6-Hydroxydopamine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCC1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2491.7Semi standard non polar33892256
6-Hydroxydopamine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2499.4Semi standard non polar33892256
6-Hydroxydopamine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(CCC1=CC(O)=C(O)C=C1O)[Si](C)(C)C(C)(C)C2683.0Semi standard non polar33892256
6-Hydroxydopamine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1CCN2519.9Semi standard non polar33892256
6-Hydroxydopamine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C2695.7Semi standard non polar33892256
6-Hydroxydopamine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCC1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O[Si](C)(C)C(C)(C)C2699.3Semi standard non polar33892256
6-Hydroxydopamine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C(O)C=C1CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2867.8Semi standard non polar33892256
6-Hydroxydopamine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2721.9Semi standard non polar33892256
6-Hydroxydopamine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O2895.5Semi standard non polar33892256
6-Hydroxydopamine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C=C1O2895.6Semi standard non polar33892256
6-Hydroxydopamine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C2927.4Semi standard non polar33892256
6-Hydroxydopamine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C2801.4Standard non polar33892256
6-Hydroxydopamine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C2502.2Standard polar33892256
6-Hydroxydopamine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O3114.7Semi standard non polar33892256
6-Hydroxydopamine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O2984.5Standard non polar33892256
6-Hydroxydopamine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O2552.3Standard polar33892256
6-Hydroxydopamine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O3105.1Semi standard non polar33892256
6-Hydroxydopamine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2982.2Standard non polar33892256
6-Hydroxydopamine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2555.6Standard polar33892256
6-Hydroxydopamine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C3119.3Semi standard non polar33892256
6-Hydroxydopamine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C2986.1Standard non polar33892256
6-Hydroxydopamine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C2545.5Standard polar33892256
6-Hydroxydopamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3369.2Semi standard non polar33892256
6-Hydroxydopamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3034.9Standard non polar33892256
6-Hydroxydopamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2561.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 6-Hydroxydopamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-8900000000-ec968317710bfa0af4b12017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Hydroxydopamine GC-MS (3 TMS) - 70eV, Positivesplash10-00di-8339000000-c3b7e127f97564a22ec02017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Hydroxydopamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Hydroxydopamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - 6-Hydroxydopamine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0uk9-0900000000-c39da540b6c679cdf01d2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 6-Hydroxydopamine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-0udi-0900000000-f41c773935ebd031beb22012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 6-Hydroxydopamine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0pdr-4900000000-4462df383c91a91684902012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 6-Hydroxydopamine 40V, Positive-QTOFsplash10-1170-9100000000-7e17c8846c48da0e6c282021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 6-Hydroxydopamine 10V, Positive-QTOFsplash10-0udi-2900000000-067de2aeac12b5d386d72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 6-Hydroxydopamine 20V, Positive-QTOFsplash10-0pdr-9800000000-93edb759b0db1c6722722021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 10V, Positive-QTOFsplash10-0fk9-0900000000-d1d462643043557219472017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 20V, Positive-QTOFsplash10-0uk9-1900000000-b2b31af5a8fedb1fe1952017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 40V, Positive-QTOFsplash10-014r-9400000000-b62782dd6a193e71ac0a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 10V, Negative-QTOFsplash10-014i-0900000000-f10baabe2e89652114f72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 20V, Negative-QTOFsplash10-014i-0900000000-21109e5bbac363c8a3e82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 40V, Negative-QTOFsplash10-006y-9800000000-a28d8466178b557c9aa72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 10V, Positive-QTOFsplash10-0fk9-0900000000-aae03a8148760ccfb8d62021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 20V, Positive-QTOFsplash10-0ufr-1900000000-69cce15bb35d7f9b2ecf2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 40V, Positive-QTOFsplash10-0q30-9100000000-3ab71c99e27d9e425c1f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 10V, Negative-QTOFsplash10-014i-0900000000-e3d8bfd20fe113d52f6a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 20V, Negative-QTOFsplash10-014i-0900000000-98fc147d84fd766610212021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Hydroxydopamine 40V, Negative-QTOFsplash10-006x-9700000000-74dbc04020f90c44cd022021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, DMSO, experimental)2021-10-10Wishart LabView Spectrum
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, DMSO, experimental)2021-10-10Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)2012-12-05Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Adrenal Medulla
  • Brain
  • Fibroblasts
  • Kidney
  • Liver
  • Neuron
  • Spleen
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
UrineDetected and Quantified0.14 (0.06-0.2) umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022678
KNApSAcK IDNot Available
Chemspider ID4463
KEGG Compound IDNot Available
BioCyc IDCPD-7666
BiGG IDNot Available
Wikipedia LinkOxidopamine
METLIN ID6307
PubChem Compound4624
PDB IDNot Available
ChEBI ID78741
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNapolitano, Alessandra; Crescenzi, Orlando; Pezzella, Alessandro; Prota, Giuseppe. Generation of the Neurotoxin 6-Hydroxydopamine by Peroxidase/H2O2 Oxidation of Dopamine. Journal of Medicinal Chemistry (1995), 38(6), 917-22.
Material Safety Data Sheet (MSDS)Download (PDF)
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. Schulz TC, Noggle SA, Palmarini GM, Weiler DA, Lyons IG, Pensa KA, Meedeniya AC, Davidson BP, Lambert NA, Condie BG: Differentiation of human embryonic stem cells to dopaminergic neurons in serum-free suspension culture. Stem Cells. 2004;22(7):1218-38. [PubMed:15579641 ]
  3. Ebadi M, Leuschen MP, el Refaey H, Hamada FM, Rojas P: The antioxidant properties of zinc and metallothionein. Neurochem Int. 1996 Aug;29(2):159-66. [PubMed:8837045 ]
  4. Rump LC, Schwertfeger E, Schaible U, Fraedrich G, Schollmeyer P: Beta 2-adrenergic receptor and angiotensin II receptor modulation of sympathetic neurotransmission in human atria. Circ Res. 1994 Mar;74(3):434-40. [PubMed:8118951 ]
  5. Nagatsu T, Sawada M: Inflammatory process in Parkinson's disease: role for cytokines. Curr Pharm Des. 2005;11(8):999-1016. [PubMed:15777250 ]
  6. Freed WJ, Poltorak M, Becker JB: Intracerebral adrenal medulla grafts: a review. Exp Neurol. 1990 Nov;110(2):139-66. [PubMed:1977606 ]
  7. Izumi Y, Sawada H, Sakka N, Yamamoto N, Kume T, Katsuki H, Shimohama S, Akaike A: p-Quinone mediates 6-hydroxydopamine-induced dopaminergic neuronal death and ferrous iron accelerates the conversion of p-quinone into melanin extracellularly. J Neurosci Res. 2005 Mar 15;79(6):849-60. [PubMed:15712215 ]
  8. Shiraga H, Pfeiffer RF, Ebadi M: The effects of 6-hydroxydopamine and oxidative stress on the level of brain metallothionein. Neurochem Int. 1993 Dec;23(6):561-6. [PubMed:8281125 ]
  9. Sajadi A, Bensadoun JC, Schneider BL, Lo Bianco C, Aebischer P: Transient striatal delivery of GDNF via encapsulated cells leads to sustained behavioral improvement in a bilateral model of Parkinson disease. Neurobiol Dis. 2006 Apr;22(1):119-29. Epub 2005 Nov 21. [PubMed:16300956 ]
  10. Lindskog S, Ahren B, Dunning BE, Sundler F: Galanin-immunoreactive nerves in the mouse and rat pancreas. Cell Tissue Res. 1991 May;264(2):363-8. [PubMed:1715243 ]
  11. Nagatsu T: Parkinson's disease: changes in apoptosis-related factors suggesting possible gene therapy. J Neural Transm (Vienna). 2002 May;109(5-6):731-45. [PubMed:12111464 ]
  12. Cao S, Gelwix CC, Caldwell KA, Caldwell GA: Torsin-mediated protection from cellular stress in the dopaminergic neurons of Caenorhabditis elegans. J Neurosci. 2005 Apr 13;25(15):3801-12. [PubMed:15829632 ]
  13. Giaime E, Sunyach C, Herrant M, Grosso S, Auberger P, McLean PJ, Checler F, da Costa CA: Caspase-3-derived C-terminal product of synphilin-1 displays antiapoptotic function via modulation of the p53-dependent cell death pathway. J Biol Chem. 2006 Apr 28;281(17):11515-22. Epub 2006 Feb 22. [PubMed:16495229 ]
  14. Madden KS, Rajan S, Bellinger DL, Felten SY, Felten DL: Age-associated alterations in sympathetic neural interactions with the immune system. Dev Comp Immunol. 1997 Nov-Dec;21(6):479-86. [PubMed:9463781 ]
  15. Ryu EJ, Harding HP, Angelastro JM, Vitolo OV, Ron D, Greene LA: Endoplasmic reticulum stress and the unfolded protein response in cellular models of Parkinson's disease. J Neurosci. 2002 Dec 15;22(24):10690-8. [PubMed:12486162 ]