MiMeDB: Showing metabocard for Glycerylphosphorylethanolamine (MMDBc0029472)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:23:40 UTC

Update Date

2022-08-31 10:30:50 UTC

Metabolite ID

MMDBc0029472

Metabolite Identification

Common Name

Glycerylphosphorylethanolamine

Description

Glycerylphosphorylethanolamine is membrane breakdown product resulting from the cleavage of the lipid group from glycerophosphoethanlomine fatty acids (i.e. phosphatidylethanolamine). Phosphatidylethanolamine is one of the major lipid constituents of E. coli.

Structure

MOL SDF PDB SMILES InChI

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Glycerylphosphorylethanolamine.mol                
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0       0.385  -0.667   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       2.695   0.667   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.925  -0.667   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.925   2.001   0.000  0.00  0.00           O+0
HETATM    5  P   UNK     0      -0.385  -2.001   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0       0.949  -2.771   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -1.155  -3.334   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -1.719  -1.231   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.385   0.667   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.925   0.667   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.695  -0.667   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -2.695   2.001   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -1.925   3.334   0.000  0.00  0.00           O+0
CONECT    1    3    5    9                                                  
CONECT    2    3    4                                                       
CONECT    3    2    1                                                       
CONECT    4    2                                                            
CONECT    5    6    7    8    1                                             
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    5                                                            
CONECT    9   10    1                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END

Synonyms

Value	Source
2-Aminoethyl ester 1-glycerophosphoric acid	HMDB
a-Glycerophosphorylethanolamine	HMDB
alpha-Glycerophosphorylethanolamine	HMDB
Glycerol 3-phosphoethanolamine	HMDB, MeSH
Glycerol 3-phosphorylethanolamine	HMDB
Glycerophosphoethanolamine	HMDB
Glycerophosphorylethanolamine	HMDB
Glyceryl-3-phosphorylethanolamine	HMDB
GPEA	HMDB

Molecular Formula

C₅H₁₄NO₆P

Average Mass

215.1415

Monoisotopic Mass

215.055873697

IUPAC Name

[(2,3-dihydroxypropyl)(2-hydroxyethyl)amino]phosphonic acid

Traditional Name

GPEA

CAS Registry Number

1190-00-7

SMILES

OCCN(CC(O)CO)P(O)(O)=O

InChI Identifier

InChI=1S/C5H14NO6P/c7-2-1-6(13(10,11)12)3-5(9)4-8/h5,7-9H,1-4H2,(H2,10,11,12)

InChI Key

FRMZOWIQVCBEAC-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Physical Properties

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0udi-4900000000-8d93f4ff2c22c15490ae	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-003s-6689400000-b56cb30807ba61fbab62	2017-10-06	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0980000000-ccf9996fb9ea623d636f	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000t-5900000000-e9dcf708a81d199f0315	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0229-7900000000-b5a90feff216d218102a	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03dj-1970000000-6ccb8182c976c4e3615b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9300000000-b9585a246036f404a036	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004l-9300000000-82f714d7d8fc0c0f3d6d	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	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 Glycerylphosphorylethanolamine (MMDBc0029472)

MOL for #<Metabolite:0x00007fd5d5884200>

3D MOL for #<Metabolite:0x00007fd5d5884200>

3D SDF for #<Metabolite:0x00007fd5d5884200>

3D-SDF for #<Metabolite:0x00007fd5d5884200>

PDB for #<Metabolite:0x00007fd5d5884200>

3D PDB for #<Metabolite:0x00007fd5d5884200>

SMILES for #<Metabolite:0x00007fd5d5884200>

INCHI for #<Metabolite:0x00007fd5d5884200>

Structure for #<Metabolite:0x00007fd5d5884200>

3D Structure for #<Metabolite:0x00007fd5d5884200>