MiMeDB: Showing metabocard for Prolylglycine (MMDBc0000259)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:47:51 UTC

Update Date

2024-04-30 19:31:42 UTC

Metabolite ID

MMDBc0000259

Metabolite Identification

Common Name

Prolylglycine

Description

Prolylglycine is a dipeptide composed of proline and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. It is found in urine (PMID: 3782411 ).

Structure

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

HEADER    PROTEIN                                 16-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAY-19         0                                  
HETATM    1  C   UNK     0    4665.9114667.051   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4667.2464666.282   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4668.5804667.051   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    4669.9194666.282   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0    4671.2534667.051   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    4669.9194664.741   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    4665.9114668.592   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0    4663.3244667.205   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0    4662.0784666.299   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    4662.5544664.835   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    4664.0944664.835   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    4664.5704666.299   0.000  0.00  0.00           C+0
CONECT    1    2    7   12                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    1                                                            
CONECT    8    9   12                                                       
CONECT    9   10    8                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    8    1                                                  
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END

Synonyms

Value	Source
L-Pro-gly	ChEBI
L-Prolinylglycine	ChEBI
P-G	ChEBI
PG	ChEBI
Pro-gly	ChEBI
L-Prolylglycine	HMDB
N-L-Prolylglycine	HMDB
N-Prolylglycine	HMDB
NSC 89175	HMDB
p-g Dipeptide	HMDB
PG Dipeptide	HMDB
Proline glycine dipeptide	HMDB
Proline-glycine dipeptide	HMDB
Prolyl-glycine	HMDB
Prolylglycine	ChEBI

Molecular Formula

C₇H₁₂N₂O₃

Average Mass

172.1818

Monoisotopic Mass

172.08479226

IUPAC Name

2-{[(2S)-pyrrolidin-2-yl]formamido}acetic acid

Traditional Name

Pro-Gly

CAS Registry Number

2578-57-6

SMILES

OC(=O)CNC(=O)[C@@H]1CCCN1

InChI Identifier

InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1

InChI Key

RNKSNIBMTUYWSH-YFKPBYRVSA-N

Chemical Taxonomy

Functional Ontology

Physical Properties

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-MS (2 TMS)	splash10-0006-2900000000-89799a6272194efe9d08	2014-06-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-6900000000-24972ffd24ebd1448086	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-9000000000-f5860fa130816fb7c463	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00dl-9000000000-97f3a107affd584af871	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-0900000000-1add648393301d0feba1	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00di-7900000000-b60a3bc21d3dd4103fff	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00dl-9000000000-bc534a481231b926bd6c	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-006t-9000000000-2e9e8efc641c3dfd18bb	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-9000000000-8f982a38658d827f57dc	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-9000000000-98be7b4ea7f829765085	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-1900000000-6445b0236efd5117342d	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00r2-9100000000-55c1fb3d336df678f0bd	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014l-9000000000-834448a1543365041616	2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum

Biological Properties

Human Proteins and Enzymes

Human Pathways

Metabolic Reactions

Health Effects and Bioactivity

Microbial Sources

Exposure Sources

Host Biospecimen and Location

External Links

References

Showing metabocard for Prolylglycine (MMDBc0000259)

MOL for #<Metabolite:0x00007fd58ca5ead8>

3D MOL for #<Metabolite:0x00007fd58ca5ead8>

3D SDF for #<Metabolite:0x00007fd58ca5ead8>

3D-SDF for #<Metabolite:0x00007fd58ca5ead8>

PDB for #<Metabolite:0x00007fd58ca5ead8>

3D PDB for #<Metabolite:0x00007fd58ca5ead8>

SMILES for #<Metabolite:0x00007fd58ca5ead8>

INCHI for #<Metabolite:0x00007fd58ca5ead8>

Structure for #<Metabolite:0x00007fd58ca5ead8>

3D Structure for #<Metabolite:0x00007fd58ca5ead8>