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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:56:36 UTC

Update Date

2022-03-07 02:55:51 UTC

HMDB ID

HMDB0038614

Secondary Accession Numbers

HMDB38614

Metabolite Identification

Common Name

gamma-L-Glutamyl-L-pipecolic acid

Description

gamma-L-Glutamyl-L-pipecolic acid, also known as g-L-glutamyl-L-pipecolate, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. gamma-L-Glutamyl-L-pipecolic acid has been detected, but not quantified in, green vegetables. This could make gamma-L-glutamyl-L-pipecolic acid a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on gamma-L-Glutamyl-L-pipecolic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0038614
     RDKit          3D
gamma-L-Glutamyl-L-pipecolic acid
 36 36  0  0  0  0  0  0  0  0999 V2000
    2.9010    0.2393   -1.1848 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1327   -0.7283   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3691   -0.5818    1.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941   -0.6249    1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3279    0.4748    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    1.5159   -0.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778    0.4758   -0.3066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4584    1.6021   -1.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121    2.1853   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948    1.1478   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3047   -0.2401   -0.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -0.6268   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378   -1.7571   -1.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775   -1.6779   -1.8710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2783   -2.9242   -1.0558 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.6358    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0726   -1.3936    1.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4612    0.2606   -0.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5772    1.0310   -1.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6617   -0.1418   -2.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544   -1.7878   -0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7095    0.3564    1.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7689   -1.3977    1.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766   -1.6349    0.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064   -0.6099    2.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564    1.2500   -2.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766    2.3721   -1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9981    3.1154   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3228    2.4552    0.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5301    1.4822   -0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1871    1.1924    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9859   -0.9481   -0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4580   -0.4132   -1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238   -0.9923    0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0498   -3.1137   -0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7793    1.0737    0.1041 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  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 12  7  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  8 26  1  0
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 15 35  1  0
 18 36  1  0
M  END

  Mrv0541 05061310332D          

 18 18  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    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
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 13  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038614

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCC(=O)N1CCCCC1C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H18N2O5/c12-7(10(15)16)4-5-9(14)13-6-2-1-3-8(13)11(17)18/h7-8H,1-6,12H2,(H,15,16)(H,17,18)

> <INCHI_KEY>
MNEBDCWSYIPUDZ-UHFFFAOYSA-N

> <FORMULA>
C11H18N2O5

> <MOLECULAR_WEIGHT>
258.271

> <EXACT_MASS>
258.121571696

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
25.98298159495538

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(4-amino-4-carboxybutanoyl)piperidine-2-carboxylic acid

> <ALOGPS_LOGP>
-2.93

> <JCHEM_LOGP>
-3.096364100001204

> <ALOGPS_LOGS>
-1.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.9054434247674163

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.0355455230963893

> <JCHEM_PKA_STRONGEST_BASIC>
9.312084235214448

> <JCHEM_POLAR_SURFACE_AREA>
120.92999999999999

> <JCHEM_REFRACTIVITY>
60.87520000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.70e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(4-amino-4-carboxybutanoyl)piperidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038614
     RDKit          3D
gamma-L-Glutamyl-L-pipecolic acid
 36 36  0  0  0  0  0  0  0  0999 V2000
    2.9010    0.2393   -1.1848 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1327   -0.7283   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3691   -0.5818    1.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941   -0.6249    1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3279    0.4748    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    1.5159   -0.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778    0.4758   -0.3066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4584    1.6021   -1.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121    2.1853   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948    1.1478   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3047   -0.2401   -0.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -0.6268   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378   -1.7571   -1.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775   -1.6779   -1.8710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2783   -2.9242   -1.0558 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.6358    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0726   -1.3936    1.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4612    0.2606   -0.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5772    1.0310   -1.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6617   -0.1418   -2.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544   -1.7878   -0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7095    0.3564    1.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7689   -1.3977    1.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766   -1.6349    0.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064   -0.6099    2.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564    1.2500   -2.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766    2.3721   -1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9981    3.1154   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3228    2.4552    0.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5301    1.4822   -0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1871    1.1924    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9859   -0.9481   -0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4580   -0.4132   -1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238   -0.9923    0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0498   -3.1137   -0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7793    1.0737    0.1041 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  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 12  7  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  8 26  1  0
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 15 35  1  0
 18 36  1  0
M  END

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       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002   3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   5.390   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       8.002   4.620   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       2.667   3.080   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0       4.001   0.770   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      10.669   3.080   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       9.336   0.770   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       4.001   6.930   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    6                                                       
CONECT    3    1    8                                                       
CONECT    4    5    7                                                       
CONECT    5    4    9                                                       
CONECT    6    2   13                                                       
CONECT    7    4   10   12                                                  
CONECT    8    3   11   13                                                  
CONECT    9    5   13   14                                                  
CONECT   10    7   15   16                                                  
CONECT   11    8   17   18                                                  
CONECT   12    7                                                            
CONECT   13    6    8    9                                                  
CONECT   14    9                                                            
CONECT   15   10                                                            
CONECT   16   10                                                            
CONECT   17   11                                                            
CONECT   18   11                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END

COMPND    HMDB0038614
HETATM    1  N1  UNL     1       2.901   0.239  -1.185  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.133  -0.728  -0.176  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.369  -0.582   1.103  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.894  -0.625   1.013  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.328   0.475   0.227  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.034   1.516  -0.004  1.00  0.00           O  
HETATM    7  N2  UNL     1      -0.978   0.476  -0.307  1.00  0.00           N  
HETATM    8  C5  UNL     1      -1.458   1.602  -1.060  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.612   2.185  -0.299  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.695   1.148  -0.178  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.305  -0.240  -0.530  1.00  0.00           C  
HETATM   12  C9  UNL     1      -1.894  -0.627  -0.134  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.538  -1.757  -1.068  1.00  0.00           C  
HETATM   14  O2  UNL     1      -0.577  -1.678  -1.871  1.00  0.00           O  
HETATM   15  O3  UNL     1      -2.278  -2.924  -1.056  1.00  0.00           O  
HETATM   16  C11 UNL     1       4.597  -0.636   0.180  1.00  0.00           C  
HETATM   17  O4  UNL     1       5.073  -1.394   1.059  1.00  0.00           O  
HETATM   18  O5  UNL     1       5.461   0.261  -0.426  1.00  0.00           O  
HETATM   19  H1  UNL     1       3.577   1.031  -1.211  1.00  0.00           H  
HETATM   20  H2  UNL     1       2.662  -0.142  -2.123  1.00  0.00           H  
HETATM   21  H3  UNL     1       2.954  -1.788  -0.547  1.00  0.00           H  
HETATM   22  H4  UNL     1       2.710   0.356   1.639  1.00  0.00           H  
HETATM   23  H5  UNL     1       2.769  -1.398   1.784  1.00  0.00           H  
HETATM   24  H6  UNL     1       0.577  -1.635   0.615  1.00  0.00           H  
HETATM   25  H7  UNL     1       0.506  -0.610   2.078  1.00  0.00           H  
HETATM   26  H8  UNL     1      -1.856   1.250  -2.042  1.00  0.00           H  
HETATM   27  H9  UNL     1      -0.677   2.372  -1.224  1.00  0.00           H  
HETATM   28  H10 UNL     1      -2.998   3.115  -0.803  1.00  0.00           H  
HETATM   29  H11 UNL     1      -2.323   2.455   0.747  1.00  0.00           H  
HETATM   30  H12 UNL     1      -4.530   1.482  -0.864  1.00  0.00           H  
HETATM   31  H13 UNL     1      -4.187   1.192   0.842  1.00  0.00           H  
HETATM   32  H14 UNL     1      -3.986  -0.948  -0.008  1.00  0.00           H  
HETATM   33  H15 UNL     1      -3.458  -0.413  -1.614  1.00  0.00           H  
HETATM   34  H16 UNL     1      -1.924  -0.992   0.910  1.00  0.00           H  
HETATM   35  H17 UNL     1      -3.050  -3.114  -0.439  1.00  0.00           H  
HETATM   36  H18 UNL     1       5.779   1.074   0.104  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3   16   21
CONECT    3    4   22   23
CONECT    4    5   24   25
CONECT    5    6    6    7
CONECT    7    8   12
CONECT    8    9   26   27
CONECT    9   10   28   29
CONECT   10   11   30   31
CONECT   11   12   32   33
CONECT   12   13   34
CONECT   13   14   14   15
CONECT   15   35
CONECT   16   17   17   18
CONECT   18   36
END

HMDB0038614
     RDKit          3D
gamma-L-Glutamyl-L-pipecolic acid
 36 36  0  0  0  0  0  0  0  0999 V2000
    2.9010    0.2393   -1.1848 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1327   -0.7283   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3691   -0.5818    1.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941   -0.6249    1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3279    0.4748    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    1.5159   -0.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778    0.4758   -0.3066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4584    1.6021   -1.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121    2.1853   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948    1.1478   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3047   -0.2401   -0.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -0.6268   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378   -1.7571   -1.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775   -1.6779   -1.8710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2783   -2.9242   -1.0558 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.6358    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0726   -1.3936    1.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4612    0.2606   -0.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5772    1.0310   -1.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6617   -0.1418   -2.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544   -1.7878   -0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7095    0.3564    1.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7689   -1.3977    1.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766   -1.6349    0.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064   -0.6099    2.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564    1.2500   -2.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766    2.3721   -1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9981    3.1154   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3228    2.4552    0.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5301    1.4822   -0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1871    1.1924    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9859   -0.9481   -0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4580   -0.4132   -1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238   -0.9923    0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0498   -3.1137   -0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7793    1.0737    0.1041 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  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 12  7  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  8 26  1  0
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 15 35  1  0
 18 36  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
g-L-Glutamyl-L-pipecolate	Generator
g-L-Glutamyl-L-pipecolic acid	Generator
gamma-L-Glutamyl-L-pipecolate	Generator
Γ-L-glutamyl-L-pipecolate	Generator
Γ-L-glutamyl-L-pipecolic acid	Generator
1-(4-Amino-4-carboxybutanoyl)piperidine-2-carboxylate	Generator

Chemical Formula

C₁₁H₁₈N₂O₅

Average Molecular Weight

258.271

Monoisotopic Molecular Weight

258.121571696

IUPAC Name

1-(4-amino-4-carboxybutanoyl)piperidine-2-carboxylic acid

Traditional Name

1-(4-amino-4-carboxybutanoyl)piperidine-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

NC(CCC(=O)N1CCCCC1C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C11H18N2O5/c12-7(10(15)16)4-5-9(14)13-6-2-1-3-8(13)11(17)18/h7-8H,1-6,12H2,(H,15,16)(H,17,18)

InChI Key

MNEBDCWSYIPUDZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Gamma-glutamyl alpha-amino acid
Glutamine or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
N-acyl-piperidine
Piperidinecarboxylic acid
Heterocyclic fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Piperidine
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Carboxylic acid
Azacycle
Organoheterocyclic compound
Primary aliphatic amine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Primary amine
Organonitrogen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038614)
Cytoplasm (HMDB: HMDB0038614)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038614)

Source

Exogenous

Exogenous (HMDB: HMDB0038614)

Food

Food (HMDB: HMDB0038614)

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Endogenous

Plant

Plant (HMDB: HMDB0038614)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0038614)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	17 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-3.1	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	2.04	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	120.93 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	60.88 m³·mol⁻¹	ChemAxon
Polarizability	25.98 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	159.576	31661259
DarkChem	[M-H]-	153.974	31661259
DeepCCS	[M+H]+	155.609	30932474
DeepCCS	[M-H]-	152.965	30932474
DeepCCS	[M-2H]-	188.238	30932474
DeepCCS	[M+Na]+	164.089	30932474
AllCCS	[M+H]+	156.6	32859911
AllCCS	[M+H-H2O]+	153.3	32859911
AllCCS	[M+NH4]+	159.7	32859911
AllCCS	[M+Na]+	160.6	32859911
AllCCS	[M-H]-	158.1	32859911
AllCCS	[M+Na-2H]-	158.2	32859911
AllCCS	[M+HCOO]-	158.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
gamma-L-Glutamyl-L-pipecolic acid	NC(CCC(=O)N1CCCCC1C(O)=O)C(O)=O	3243.4	Standard polar	33892256
gamma-L-Glutamyl-L-pipecolic acid	NC(CCC(=O)N1CCCCC1C(O)=O)C(O)=O	2060.1	Standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid	NC(CCC(=O)N1CCCCC1C(O)=O)C(O)=O	2493.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
gamma-L-Glutamyl-L-pipecolic acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)C1CCCCN1C(=O)CCC(N)C(=O)O	2326.8	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC(=O)N1CCCCC1C(=O)O	2320.3	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,1TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N1CCCCC1C(=O)O)C(=O)O	2385.6	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC(=O)N1CCCCC1C(=O)O[Si](C)(C)C	2312.0	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,2TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)N1CCCCC1C(=O)O[Si](C)(C)C)C(=O)O	2376.4	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,2TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N1CCCCC1C(=O)O)C(=O)O[Si](C)(C)C	2387.5	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,2TMS,isomer #4	C[Si](C)(C)N(C(CCC(=O)N1CCCCC1C(=O)O)C(=O)O)[Si](C)(C)C	2506.2	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)N1CCCCC1C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2371.1	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)N1CCCCC1C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2362.3	Standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1CCCCN1C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2509.9	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1CCCCN1C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2436.3	Standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(=O)N1CCCCC1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2511.6	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(=O)N1CCCCC1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2429.0	Standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1CCCCN1C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2516.6	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1CCCCN1C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2474.7	Standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1CCCCN1C(=O)CCC(N)C(=O)O	2580.5	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N1CCCCC1C(=O)O	2576.6	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)N1CCCCC1C(=O)O)C(=O)O	2635.1	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N1CCCCC1C(=O)O[Si](C)(C)C(C)(C)C	2765.1	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=O)N1CCCCC1C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2846.5	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)N1CCCCC1C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2853.8	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(CCC(=O)N1CCCCC1C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2967.8	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)N1CCCCC1C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3018.4	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)N1CCCCC1C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2935.6	Standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1CCCCN1C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3189.6	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1CCCCN1C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2990.3	Standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N1CCCCC1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3222.1	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N1CCCCC1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3018.2	Standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1CCCCN1C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3393.5	Semi standard non polar	33892256
gamma-L-Glutamyl-L-pipecolic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1CCCCN1C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3209.7	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-02bf-9430000000-27e1c9d24fd0ba2e4e35	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid GC-MS (2 TMS) - 70eV, Positive	splash10-00n0-7491000000-2abaa5937e009d2c9b52	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 10V, Positive-QTOF	splash10-08fr-0490000000-13b9a4f079afc7e495fe	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 20V, Positive-QTOF	splash10-03ea-3950000000-c348f2a015f74af01662	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 40V, Positive-QTOF	splash10-053r-9500000000-9b2f1bbe09f76d62a52f	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 10V, Negative-QTOF	splash10-0bt9-0290000000-be81e9ef62a9c1d3f6f2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 20V, Negative-QTOF	splash10-03fr-3980000000-742741e2b5700920d3bd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 40V, Negative-QTOF	splash10-001l-9700000000-1922eeec95820654479e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 10V, Negative-QTOF	splash10-002r-0890000000-28abcdf27cae21d8bc41	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 20V, Negative-QTOF	splash10-004i-2910000000-7e842f1db0df144160bc	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 40V, Negative-QTOF	splash10-01t9-5900000000-e89ff87cbcb9d2b62bea	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 10V, Positive-QTOF	splash10-0a4i-0190000000-eb1361ed45c731b030b3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 20V, Positive-QTOF	splash10-001i-7930000000-91c7aca764ddf3857ddc	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-L-pipecolic acid 40V, Positive-QTOF	splash10-001i-9200000000-e825f8acf2dd895cd8bc	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018008

KNApSAcK ID

Not Available

Chemspider ID

35014615

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

69247902

PDB ID

Not Available

ChEBI ID

173838

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for gamma-L-Glutamyl-L-pipecolic acid (HMDB0038614)

MOL for HMDB0038614 (gamma-L-Glutamyl-L-pipecolic acid)

3D MOL for HMDB0038614 (gamma-L-Glutamyl-L-pipecolic acid)

3D SDF for HMDB0038614 (gamma-L-Glutamyl-L-pipecolic acid)

3D-SDF for HMDB0038614 (gamma-L-Glutamyl-L-pipecolic acid)

PDB for HMDB0038614 (gamma-L-Glutamyl-L-pipecolic acid)

3D PDB for HMDB0038614 (gamma-L-Glutamyl-L-pipecolic acid)

SMILES for HMDB0038614 (gamma-L-Glutamyl-L-pipecolic acid)

INCHI for HMDB0038614 (gamma-L-Glutamyl-L-pipecolic acid)

Structure for HMDB0038614 (gamma-L-Glutamyl-L-pipecolic acid)

3D Structure for HMDB0038614 (gamma-L-Glutamyl-L-pipecolic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra