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Showing metabocard for 3-Phenylpropionylglycine (HMDB0002042)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 14:17:33 UTC
Update Date2023-02-21 17:16:05 UTC
HMDB IDHMDB0002042
Secondary Accession Numbers
  • HMDB02042
Metabolite Identification
Common Name3-Phenylpropionylglycine
Description3-Phenylpropionylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:acyl-CoA + glycine < -- > CoA + N-acylglycineUrinary excretion of 3-phenylpropionylglycine is a diagnostic marker for medium-chain acyl-CoA dehydrogenase deficiency. 3-phenylpropionylglycine is derived from 3-phenylpropionic acid, a product of anaerobic bacterial metabolism in the gut. (PMID 1541011 ).
Structure
Data?1676999765
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0002042 (3-Phenylpropionylglycine)

Untitled Document-8
  Mrv0541 02231219202D          

 15 15  0  0  0  0            999 V2000
    0.3572   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  7 14  2  0  0  0  0
 12 15  2  0  0  0  0
M  END
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3D MOL for HMDB0002042 (3-Phenylpropionylglycine)

HMDB0002042
     RDKit          3D
3-Phenylpropionylglycine
 28 28  0  0  0  0  0  0  0  0999 V2000
    3.7554    0.3428   -1.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635   -0.1109   -0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8138    0.1884   -0.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351   -0.9515    0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403   -1.1682    0.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6046   -0.0241    0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1698   -0.4310    0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456    0.7315    0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280    1.8427    0.8014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725    0.5590    0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6754   -0.6657   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0372   -0.8941   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8578    0.2064   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3798    1.4612    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0067    1.6311    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    1.0697   -0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9856   -0.5137    1.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3184   -1.9678    0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814   -2.0350    0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514    0.3837    1.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8323    0.7759   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0856   -0.8014   -0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0637   -1.2686    0.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0228   -1.5323   -0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414   -1.8586   -0.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9205    0.0784   -0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0205    2.3204    0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6467    2.6316    0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  0
 14 27  1  0
 15 28  1  0
M  END
Download

3D SDF for HMDB0002042 (3-Phenylpropionylglycine)

Untitled Document-8
  Mrv0541 02231219202D          

 15 15  0  0  0  0            999 V2000
    0.3572   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  7 14  2  0  0  0  0
 12 15  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0002042

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(=O)CNCCC(=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H13NO3/c13-10(6-7-12-8-11(14)15)9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,14,15)

> <INCHI_KEY>
XHSURMJJKAFELI-UHFFFAOYSA-N

> <FORMULA>
C11H13NO3

> <MOLECULAR_WEIGHT>
207.2258

> <EXACT_MASS>
207.089543287

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
21.630842621624097

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(3-oxo-3-phenylpropyl)amino]acetic acid

> <ALOGPS_LOGP>
-1.34

> <JCHEM_LOGP>
-1.7170523763157561

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.75287645821621

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5462061868391186

> <JCHEM_PKA_STRONGEST_BASIC>
9.833995100011443

> <JCHEM_POLAR_SURFACE_AREA>
66.4

> <JCHEM_REFRACTIVITY>
55.37910000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.15e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-phenylpropionylglycine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0002042 (3-Phenylpropionylglycine)

HMDB0002042
     RDKit          3D
3-Phenylpropionylglycine
 28 28  0  0  0  0  0  0  0  0999 V2000
    3.7554    0.3428   -1.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635   -0.1109   -0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8138    0.1884   -0.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351   -0.9515    0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403   -1.1682    0.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6046   -0.0241    0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1698   -0.4310    0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456    0.7315    0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280    1.8427    0.8014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725    0.5590    0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6754   -0.6657   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0372   -0.8941   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8578    0.2064   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3798    1.4612    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0067    1.6311    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    1.0697   -0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9856   -0.5137    1.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3184   -1.9678    0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814   -2.0350    0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514    0.3837    1.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8323    0.7759   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0856   -0.8014   -0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0637   -1.2686    0.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0228   -1.5323   -0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414   -1.8586   -0.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9205    0.0784   -0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0205    2.3204    0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6467    2.6316    0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  0
 14 27  1  0
 15 28  1  0
M  END
Download

PDB for HMDB0002042 (3-Phenylpropionylglycine)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Untitled Document-8                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       0.667  -3.465   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.667  -5.005   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.001  -5.775   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.334  -5.005   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.334  -3.465   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.001  -2.695   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.001  -1.155   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.667  -0.385   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.667   1.155   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -0.667   1.925   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -0.667   3.465   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.001   4.235   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.001   5.775   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       3.334  -0.385   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -3.334   3.465   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8   14                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12                                                            
CONECT   14    7                                                            
CONECT   15   12                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   30    0
END
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3D PDB for HMDB0002042 (3-Phenylpropionylglycine)

COMPND    HMDB0002042
HETATM    1  O1  UNL     1       3.755   0.343  -1.438  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.464  -0.111  -0.504  1.00  0.00           C  
HETATM    3  O2  UNL     1       5.814   0.188  -0.450  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.835  -0.951   0.512  1.00  0.00           C  
HETATM    5  N1  UNL     1       2.440  -1.168   0.338  1.00  0.00           N  
HETATM    6  C3  UNL     1       1.605  -0.024   0.530  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.170  -0.431   0.303  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.746   0.732   0.490  1.00  0.00           C  
HETATM    9  O3  UNL     1      -0.228   1.843   0.801  1.00  0.00           O  
HETATM   10  C6  UNL     1      -2.172   0.559   0.313  1.00  0.00           C  
HETATM   11  C7  UNL     1      -2.675  -0.666  -0.023  1.00  0.00           C  
HETATM   12  C8  UNL     1      -4.037  -0.894  -0.209  1.00  0.00           C  
HETATM   13  C9  UNL     1      -4.858   0.206  -0.029  1.00  0.00           C  
HETATM   14  C10 UNL     1      -4.380   1.461   0.312  1.00  0.00           C  
HETATM   15  C11 UNL     1      -3.007   1.631   0.485  1.00  0.00           C  
HETATM   16  H1  UNL     1       6.181   1.070  -0.114  1.00  0.00           H  
HETATM   17  H2  UNL     1       3.986  -0.514   1.542  1.00  0.00           H  
HETATM   18  H3  UNL     1       4.318  -1.968   0.590  1.00  0.00           H  
HETATM   19  H4  UNL     1       2.081  -2.035   0.761  1.00  0.00           H  
HETATM   20  H5  UNL     1       1.651   0.384   1.562  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.832   0.776  -0.203  1.00  0.00           H  
HETATM   22  H7  UNL     1       0.086  -0.801  -0.748  1.00  0.00           H  
HETATM   23  H8  UNL     1      -0.064  -1.269   0.985  1.00  0.00           H  
HETATM   24  H9  UNL     1      -2.023  -1.532  -0.164  1.00  0.00           H  
HETATM   25  H10 UNL     1      -4.441  -1.859  -0.474  1.00  0.00           H  
HETATM   26  H11 UNL     1      -5.921   0.078  -0.161  1.00  0.00           H  
HETATM   27  H12 UNL     1      -5.020   2.320   0.453  1.00  0.00           H  
HETATM   28  H13 UNL     1      -2.647   2.632   0.755  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   16
CONECT    4    5   17   18
CONECT    5    6   19
CONECT    6    7   20   21
CONECT    7    8   22   23
CONECT    8    9    9   10
CONECT   10   11   11   15
CONECT   11   12   24
CONECT   12   13   13   25
CONECT   13   14   26
CONECT   14   15   15   27
CONECT   15   28
END
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SMILES for HMDB0002042 (3-Phenylpropionylglycine)

OC(=O)CNCCC(=O)C1=CC=CC=C1
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INCHI for HMDB0002042 (3-Phenylpropionylglycine)

InChI=1S/C11H13NO3/c13-10(6-7-12-8-11(14)15)9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,14,15)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-[(3-oxo-3-Phenylpropyl)amino]acetateHMDB
Chemical FormulaC11H13NO3
Average Molecular Weight207.2258
Monoisotopic Molecular Weight207.089543287
IUPAC Name2-[(3-oxo-3-phenylpropyl)amino]acetic acid
Traditional Name3-phenylpropionylglycine
CAS Registry Number20989-69-9
SMILES
OC(=O)CNCCC(=O)C1=CC=CC=C1
InChI Identifier
InChI=1S/C11H13NO3/c13-10(6-7-12-8-11(14)15)9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,14,15)
InChI KeyXHSURMJJKAFELI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAlkyl-phenylketones
Alternative Parents
Substituents
  • Alkyl-phenylketone
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • Benzoyl
  • Aryl alkyl ketone
  • Monocyclic benzene moiety
  • Benzenoid
  • Beta-aminoketone
  • Amino acid or derivatives
  • Amino acid
  • Carboxylic acid salt
  • Carboxylic acid derivative
  • Secondary amine
  • Carboxylic acid
  • Secondary aliphatic amine
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organic zwitterion
  • Organic salt
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Amine
  • Organic oxide
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
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 IDFDB022813
KNApSAcK IDNot Available
Chemspider ID1296138
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6455
PubChem Compound1608346
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Rinaldo P, O'Shea JJ, Welch RD, Tanaka K: Stable isotope dilution analysis of n-hexanoylglycine, 3-phenylpropionylglycine and suberylglycine in human urine using chemical ionization gas chromatography/mass spectrometry selected ion monitoring. Biomed Environ Mass Spectrom. 1989 Jul;18(7):471-7. [PubMed:2775902 ]
  2. Tserng KY, Jin SJ, Kerr DS, Hoppel CL: Abnormal urinary excretion of unsaturated dicarboxylic acids in patients with medium-chain acyl-CoA dehydrogenase deficiency. J Lipid Res. 1990 May;31(5):763-71. [PubMed:2380628 ]
  3. Rinaldo P, O'Shea JJ, Welch RD, Tanaka K: The enzymatic basis for the dehydrogenation of 3-phenylpropionic acid: in vitro reaction of 3-phenylpropionyl-CoA with various acyl-CoA dehydrogenases. Pediatr Res. 1990 May;27(5):501-7. [PubMed:2345678 ]
  4. Bennett MJ, Bhala A, Poirier SF, Ragni MC, Willi SM, Hale DE: When do gut flora in the newborn produce 3-phenylpropionic acid? Implications for early diagnosis of medium-chain acyl-CoA dehydrogenase deficiency. Clin Chem. 1992 Feb;38(2):278-81. [PubMed:1541011 ]

Enzymes

Enzyme Details
1. Glycine N-acyltransferase
General function:
Involved in glycine N-acyltransferase activity
Specific function:
Mitochondrial acyltransferase which transfers an acyl group to the N-terminus of glycine and glutamine, although much less efficiently. Can conjugate numerous substrates to form a variety of N-acylglycines, with a preference for benzoyl-CoA over phenylacetyl-CoA as acyl donors. Thereby detoxify xenobiotics, such as benzoic acid or salicylic acid, and endogenous organic acids, such as isovaleric acid.
Gene Name:
GLYAT
Uniprot ID:
Q6IB77
Molecular weight:
18506.33
Enzyme Details
2. Glycine N-acyltransferase-like protein 1
General function:
Involved in glycine N-acyltransferase activity
Specific function:
Acyltransferase which transfers an acyl group to the N-terminus of glutamine. Can use phenylacetyl-CoA as an acyl donor.
Gene Name:
GLYATL1
Uniprot ID:
Q969I3
Molecular weight:
35100.895
Enzyme Details
3. Glycine N-acyltransferase-like protein 2
General function:
Involved in glycine N-acyltransferase activity
Specific function:
Mitochondrial acyltransferase which transfers the acyl group to the N-terminus of glycine. Conjugates numerous substrates, such as arachidonoyl-CoA and saturated medium and long-chain acyl-CoAs ranging from chain-length C8:0-CoA to C18:0-CoA, to form a variety of N-acylglycines. Shows a preference for monounsaturated fatty acid oleoyl-CoA (C18:1-CoA) as an acyl donor. Does not exhibit any activity toward C22:6-CoA and chenodeoxycholoyl-CoA, nor toward serine or alanine.
Gene Name:
GLYATL2
Uniprot ID:
Q8WU03
Molecular weight:
34277.055
Enzyme Details
4. Glycine N-acyltransferase-like protein 3
General function:
Involved in glycine N-acyltransferase activity
Specific function:
Acyltransferase which transfers the acyl group to the N- terminus of glycine
Gene Name:
GLYATL3
Uniprot ID:
Q5SZD4
Molecular weight:
32703.3