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Showing metabocard for Tripropylamine (HMDB0032545)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:50:23 UTC
Update Date2023-02-21 17:22:20 UTC
HMDB IDHMDB0032545
Secondary Accession Numbers
  • HMDB32545
Metabolite Identification
Common NameTripropylamine
DescriptionTripropylamine, also known as (N-C3H7)3N or NPR3, belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen. Based on a literature review a significant number of articles have been published on Tripropylamine.
Structure
Data?1677000140
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032545 (Tripropylamine)


  Mrv0541 05061306332D          

 10  9  0  0  0  0            999 V2000
    1.4289   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
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3D MOL for HMDB0032545 (Tripropylamine)

HMDB0032545
     RDKit          3D
Tripropylamine
 31 30  0  0  0  0  0  0  0  0999 V2000
    1.7178   -2.9340   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5949   -2.6805    0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6164   -1.2467    1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410   -0.2995   -0.0114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335   -0.2705   -0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9437    0.2317    0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2521    0.1971   -0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9038    0.9839    0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604    2.0547   -0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3846    3.3839   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6615   -2.8987    0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6643   -2.1250   -1.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5315   -3.8866   -0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393   -3.3052    1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3295   -3.0331    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171   -1.0665    1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1224   -1.0573    1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1805   -1.2361   -1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917    0.4166   -1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7801    1.3025    0.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019   -0.3923    1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4637    1.1401   -1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1265    0.0031    0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2305   -0.6146   -1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002    0.8790    0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451    1.3328    1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952    1.8070   -1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1878    2.2557   -0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    4.2518   -0.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    3.3629    1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019    3.4440   -0.2030 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  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 10 31  1  0
M  END
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3D SDF for HMDB0032545 (Tripropylamine)


  Mrv0541 05061306332D          

 10  9  0  0  0  0            999 V2000
    1.4289   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032545

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCN(CCC)CCC

> <INCHI_IDENTIFIER>
InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3

> <INCHI_KEY>
YFTHZRPMJXBUME-UHFFFAOYSA-N

> <FORMULA>
C9H21N

> <MOLECULAR_WEIGHT>
143.2697

> <EXACT_MASS>
143.167399677

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
19.613523504969397

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tripropylamine

> <ALOGPS_LOGP>
3.08

> <JCHEM_LOGP>
2.8281605146666666

> <ALOGPS_LOGS>
-1.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.8166701275133

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
47.80590000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.65e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tripropylamine

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0032545 (Tripropylamine)

HMDB0032545
     RDKit          3D
Tripropylamine
 31 30  0  0  0  0  0  0  0  0999 V2000
    1.7178   -2.9340   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5949   -2.6805    0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6164   -1.2467    1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410   -0.2995   -0.0114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335   -0.2705   -0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9437    0.2317    0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2521    0.1971   -0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9038    0.9839    0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604    2.0547   -0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3846    3.3839   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6615   -2.8987    0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6643   -2.1250   -1.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5315   -3.8866   -0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393   -3.3052    1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3295   -3.0331    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171   -1.0665    1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1224   -1.0573    1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1805   -1.2361   -1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917    0.4166   -1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7801    1.3025    0.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019   -0.3923    1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4637    1.1401   -1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1265    0.0031    0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2305   -0.6146   -1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002    0.8790    0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451    1.3328    1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952    1.8070   -1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1878    2.2557   -0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    4.2518   -0.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    3.3629    1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019    3.4440   -0.2030 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  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 10 31  1  0
M  END
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PDB for HMDB0032545 (Tripropylamine)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.667  -3.493   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334   3.437   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001   3.437   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667  -1.953   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   2.667   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -1.183   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   1.127   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   1.127   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       1.334   0.357   0.000  0.00  0.00           N+0
CONECT    1    4                                                            
CONECT    2    5                                                            
CONECT    3    6                                                            
CONECT    4    1    7                                                       
CONECT    5    2    8                                                       
CONECT    6    3    9                                                       
CONECT    7    4   10                                                       
CONECT    8    5   10                                                       
CONECT    9    6   10                                                       
CONECT   10    7    8    9                                                  
MASTER        0    0    0    0    0    0    0    0   10    0   18    0
END
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3D PDB for HMDB0032545 (Tripropylamine)

COMPND    HMDB0032545
HETATM    1  C1  UNL     1       1.718  -2.934  -0.410  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.595  -2.681   0.603  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.616  -1.247   1.048  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.441  -0.300  -0.011  1.00  0.00           N  
HETATM    5  C4  UNL     1      -0.833  -0.271  -0.607  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.944   0.232   0.271  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.252   0.197  -0.507  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.904   0.984   0.399  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.860   2.055  -0.647  1.00  0.00           C  
HETATM   10  C9  UNL     1       1.385   3.384  -0.096  1.00  0.00           C  
HETATM   11  H1  UNL     1       2.661  -2.899   0.126  1.00  0.00           H  
HETATM   12  H2  UNL     1       1.664  -2.125  -1.169  1.00  0.00           H  
HETATM   13  H3  UNL     1       1.532  -3.887  -0.900  1.00  0.00           H  
HETATM   14  H4  UNL     1       0.839  -3.305   1.489  1.00  0.00           H  
HETATM   15  H5  UNL     1      -0.329  -3.033   0.171  1.00  0.00           H  
HETATM   16  H6  UNL     1       1.617  -1.066   1.491  1.00  0.00           H  
HETATM   17  H7  UNL     1      -0.122  -1.057   1.850  1.00  0.00           H  
HETATM   18  H8  UNL     1      -1.180  -1.236  -1.031  1.00  0.00           H  
HETATM   19  H9  UNL     1      -0.792   0.417  -1.490  1.00  0.00           H  
HETATM   20  H10 UNL     1      -1.780   1.302   0.520  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.102  -0.392   1.178  1.00  0.00           H  
HETATM   22  H12 UNL     1      -3.464   1.140  -1.039  1.00  0.00           H  
HETATM   23  H13 UNL     1      -4.127   0.003   0.151  1.00  0.00           H  
HETATM   24  H14 UNL     1      -3.230  -0.615  -1.287  1.00  0.00           H  
HETATM   25  H15 UNL     1       2.000   0.879   0.665  1.00  0.00           H  
HETATM   26  H16 UNL     1       0.445   1.333   1.360  1.00  0.00           H  
HETATM   27  H17 UNL     1       1.495   1.807  -1.524  1.00  0.00           H  
HETATM   28  H18 UNL     1      -0.188   2.256  -0.926  1.00  0.00           H  
HETATM   29  H19 UNL     1       0.857   4.252  -0.493  1.00  0.00           H  
HETATM   30  H20 UNL     1       1.211   3.363   1.017  1.00  0.00           H  
HETATM   31  H21 UNL     1       2.502   3.444  -0.203  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4   16   17
CONECT    4    5    8
CONECT    5    6   18   19
CONECT    6    7   20   21
CONECT    7   22   23   24
CONECT    8    9   25   26
CONECT    9   10   27   28
CONECT   10   29   30   31
END
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SMILES for HMDB0032545 (Tripropylamine)

CCCN(CCC)CCC
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INCHI for HMDB0032545 (Tripropylamine)

InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(N-C3H7)3NChEBI
N,N-Dipropyl-1-propanamineChEBI
NPR3ChEBI
Propyldi-N-propylamineChEBI
Tri-N-propylamineChEBI
N,N-Dipropyl-1-propylamineHMDB
N,N-Dipropylpropan-1-amineHMDB
TripropylammoniumHMDB
Tripropylammonium sulfate (1:1)HMDB
Tripropylammonium acetateHMDB
Tripropylammonium hydrochlorideHMDB
Chemical FormulaC9H21N
Average Molecular Weight143.2697
Monoisotopic Molecular Weight143.167399677
IUPAC Nametripropylamine
Traditional Nametripropylamine
CAS Registry Number102-69-2
SMILES
CCCN(CCC)CCC
InChI Identifier
InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
InChI KeyYFTHZRPMJXBUME-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentTrialkylamines
Alternative Parents
Substituents
  • Tertiary aliphatic amine
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-93.5 °CNot Available
Boiling Point156.00 to 158.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility0.75 mg/mL at 25 °CNot Available
LogP2.79Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility6.65 g/LALOGPS
logP3.08ALOGPS
logP2.83ChemAxon
logS-1.3ALOGPS
pKa (Strongest Basic)10.82ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area3.24 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity47.81 m³·mol⁻¹ChemAxon
Polarizability19.61 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+132.54131661259
DarkChem[M-H]-129.8131661259
DeepCCS[M+H]+137.73830932474
DeepCCS[M-H]-134.7930932474
DeepCCS[M-2H]-171.46330932474
DeepCCS[M+Na]+146.71230932474
AllCCS[M+H]+138.232859911
AllCCS[M+H-H2O]+134.332859911
AllCCS[M+NH4]+141.832859911
AllCCS[M+Na]+142.832859911
AllCCS[M-H]-137.732859911
AllCCS[M+Na-2H]-140.532859911
AllCCS[M+HCOO]-143.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
TripropylamineCCCN(CCC)CCC969.9Standard polar33892256
TripropylamineCCCN(CCC)CCC940.8Standard non polar33892256
TripropylamineCCCN(CCC)CCC896.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Tripropylamine EI-B (Non-derivatized)splash10-00du-9000000000-a9eef4712317c253591f2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Tripropylamine EI-B (Non-derivatized)splash10-00du-9000000000-a9eef4712317c253591f2018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tripropylamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-03fu-9700000000-909926731d77619dfbab2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tripropylamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tripropylamine 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 - Tripropylamine 40V, Positive-QTOFsplash10-0006-0900000000-fab56fcc3892547b1fbf2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tripropylamine 30V, Positive-QTOFsplash10-0006-0900000000-e4a9a937c75a992cdbc92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tripropylamine 10V, Positive-QTOFsplash10-0006-0900000000-4ca42701a6ec34eedddb2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tripropylamine 20V, Positive-QTOFsplash10-0006-0900000000-56b35752087ff1bfbdec2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 10V, Positive-QTOFsplash10-0006-0900000000-470ee8e90f1b986b31ae2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 20V, Positive-QTOFsplash10-0006-3900000000-5aabcc645bfe0459370b2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 40V, Positive-QTOFsplash10-0006-9000000000-4d63dc99972aa8a39c1b2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 10V, Negative-QTOFsplash10-0006-0900000000-4b6d4b2c67c6c573fa5f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 20V, Negative-QTOFsplash10-0006-0900000000-bf4eb80f656bb340d19f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 40V, Negative-QTOFsplash10-0k96-9500000000-014c7e575cba3b6b3b1e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 10V, Negative-QTOFsplash10-0006-0900000000-1b707917542a9cf4080d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 20V, Negative-QTOFsplash10-0006-0900000000-f47a98ce1d097fb91d062021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 40V, Negative-QTOFsplash10-0pb9-9100000000-e7904983b42b858bc6162021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 10V, Positive-QTOFsplash10-0006-0900000000-ee46b6a56263919b90f12021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 20V, Positive-QTOFsplash10-01ox-1900000000-9e20cd5aab4c41b2a9c42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tripropylamine 40V, Positive-QTOFsplash10-0w2c-5900000000-386db5677a4b790e2ed92021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB010422
KNApSAcK IDNot Available
Chemspider ID7334
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7616
PDB IDNot Available
ChEBI ID38880
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1294821
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). EAFUS: Everything Added to Food in the United States.. .