MiMeDB: Showing metabocard for 2,5-diamino-6-hydroxy-4-(5-phospho-D-ribosylamino)pyrimidine (MMDBc0031729)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:46:45 UTC

Update Date

2022-08-31 18:23:59 UTC

Metabolite ID

MMDBc0031729

Metabolite Identification

Common Name

2,5-diamino-6-hydroxy-4-(5-phospho-D-ribosylamino)pyrimidine

Description

2,5-diamino-6-hydroxy-4-(5-phospho-d-ribosylamino)pyrimidine belongs to the family of Glycosylamines. These are compounds consisting of an¬†amine¬†with a¬†Œ≤-N-glycosidic bond¬†to a carbohydrate, thus forming a cyclic¬†hemiaminal ether¬†bond (Œ±-aminoether).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 08141218132D          

 27 28  0  0  0  0            999 V2000
    3.4888   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1661   -3.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.2991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3188   -3.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866   -3.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8372   -2.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1694   -4.5710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1728   -1.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393   -3.2361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0168   -2.3962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -2.9774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -0.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4715   -4.3985    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6711   -1.5712    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1414   -2.6108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6315   -1.0416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019   -2.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8865   -1.8262    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5467   -0.9742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5994   -0.6957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402   -0.9692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8094   -2.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
  8 12  1  1  0  0  0
 13  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 14  9  1  0  0  0  0
  4 15  1  6  0  0  0
  5 16  1  6  0  0  0
 17  7  1  0  0  0  0
 21  1  1  0  0  0  0
 22  2  1  0  0  0  0
 22  8  1  0  0  0  0
 23 18  1  0  0  0  0
 23 19  1  0  0  0  0
 23 20  2  0  0  0  0
 23 21  1  0  0  0  0
  2 24  1  6  0  0  0
  4 25  1  1  0  0  0
  5 26  1  1  0  0  0
  8 27  1  6  0  0  0
M  CHG  2  17  -1  18  -1
M  END


  Mrv0541 08141218132D          

 27 28  0  0  0  0            999 V2000
    3.4888   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1661   -3.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.2991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3188   -3.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866   -3.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8372   -2.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1694   -4.5710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1728   -1.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393   -3.2361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0168   -2.3962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -2.9774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -0.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4715   -4.3985    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6711   -1.5712    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1414   -2.6108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6315   -1.0416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019   -2.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8865   -1.8262    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5467   -0.9742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5994   -0.6957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402   -0.9692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8094   -2.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
  8 12  1  1  0  0  0
 13  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 14  9  1  0  0  0  0
  4 15  1  6  0  0  0
  5 16  1  6  0  0  0
 17  7  1  0  0  0  0
 21  1  1  0  0  0  0
 22  2  1  0  0  0  0
 22  8  1  0  0  0  0
 23 18  1  0  0  0  0
 23 19  1  0  0  0  0
 23 20  2  0  0  0  0
 23 21  1  0  0  0  0
  2 24  1  6  0  0  0
  4 25  1  1  0  0  0
  5 26  1  1  0  0  0
  8 27  1  6  0  0  0
M  CHG  2  17  -1  18  -1
M  END
> <DATABASE_ID>
MMDBc0031729

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(O)[C@@]([H])(O)[C@]([H])(NC2=C(N)C([O-])=NC(=N)N2)O[C@]1([H])COP(O)([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N5O8P/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(22-8)1-21-23(18,19)20/h2,4-5,8,15-16H,1,10H2,(H2,18,19,20)(H4,11,12,13,14,17)/p-2/t2-,4-,5-,8-/m1/s1

> <INCHI_KEY>
OCLCLRXKNJCOJD-UMMCILCDSA-L

> <FORMULA>
C9H14N5O8P

> <MOLECULAR_WEIGHT>
351.2099

> <EXACT_MASS>
351.057998961

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
29.418298968291978

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-amino-6-{[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]amino}-2-imino-1,2-dihydropyrimidin-4-olate

> <ALOGPS_LOGP>
-1.79

> <JCHEM_LOGP>
-4.066786277594823

> <ALOGPS_LOGS>
-1.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
1.772095511240722

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2251243123612077

> <JCHEM_PKA_STRONGEST_BASIC>
21.886020042150083

> <JCHEM_POLAR_SURFACE_AREA>
228.62999999999997

> <JCHEM_REFRACTIVITY>
102.2996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-amino-6-{[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]amino}-2-imino-1H-pyrimidin-4-olate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 14-AUG-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-AUG-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O-1
HETATM   18  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O-1
HETATM   19  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   23  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   24  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   26  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   27  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    2   21                                                       
CONECT    2    1    4   22   24                                             
CONECT    3    6    7   10                                                  
CONECT    4    2    5   15   25                                             
CONECT    5    4    8   16   26                                             
CONECT    6    3   12   13                                                  
CONECT    7    3   14   17                                                  
CONECT    8    5   12   22   27                                             
CONECT    9   11   13   14                                                  
CONECT   10    3                                                            
CONECT   11    9                                                            
CONECT   12    6    8                                                       
CONECT   13    6    9                                                       
CONECT   14    7    9                                                       
CONECT   15    4                                                            
CONECT   16    5                                                            
CONECT   17    7                                                            
CONECT   18   23                                                            
CONECT   19   23                                                            
CONECT   20   23                                                            
CONECT   21    1   23                                                       
CONECT   22    2    8                                                       
CONECT   23   18   19   20   21                                             
CONECT   24    2                                                            
CONECT   25    4                                                            
CONECT   26    5                                                            
CONECT   27    8                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   56    0
END

Synonyms

Value	Source
2,5-Diamino-6-hydroxy-4-(5-phosphoribosylamino)-pyrimidine	ChEBI
N-(2,5-Diamino-6-hydroxypyrimidin-4-yl)-5-O-phosphonato-beta-D-ribofuranosylamine	ChEBI
N-(2,5-Diamino-6-hydroxypyrimidin-4-yl)-5-O-phosphonato-b-D-ribofuranosylamine	Generator
N-(2,5-Diamino-6-hydroxypyrimidin-4-yl)-5-O-phosphonato-β-D-ribofuranosylamine	Generator

Molecular Formula

C₉H₁₄N₅O₈P

Average Mass

351.2099

Monoisotopic Mass

351.057998961

IUPAC Name

5-amino-6-{[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]amino}-2-imino-1,2-dihydropyrimidin-4-olate

Traditional Name

5-amino-6-{[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]amino}-2-imino-1H-pyrimidin-4-olate

CAS Registry Number

Not Available

SMILES

[H][C@]1(O)[C@@]([H])(O)[C@]([H])(NC2=C(N)C([O-])=NC(=N)N2)O[C@]1([H])COP(O)([O-])=O

InChI Identifier

InChI=1S/C9H16N5O8P/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(22-8)1-21-23(18,19)20/h2,4-5,8,15-16H,1,10H2,(H2,18,19,20)(H4,11,12,13,14,17)/p-2/t2-,4-,5-,8-/m1/s1

InChI Key

OCLCLRXKNJCOJD-UMMCILCDSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose-5-phosphate
Pentose phosphate
N-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Secondary aliphatic/aromatic amine
Pyrimidone
Aminopyrimidine
Alkyl phosphate
Pyrimidine
Phosphoric acid ester
Organic phosphoric acid derivative
Hydropyrimidine
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
Secondary alcohol
1,2-diol
Oxacycle
Azacycle
Organoheterocyclic compound
Secondary amine
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Amine
Alcohol
Organic anion
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

organophosphate oxoanion (CHEBI:58614 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	10.6 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-4.1	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.23	ChemAxon
pKa (Strongest Basic)	21.89	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	228.63 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	102.3 m³·mol⁻¹	ChemAxon
Polarizability	29.42 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-1109000000-8d834569b517f9722ef6	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-6209000000-7451456ce6d5ae324e0d	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0007-7900000000-3c7368a7048ba087245b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-1009000000-1537be17cc01c739d8c9	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9001000000-e00337bae380929bfb28	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-003s-9000000000-df9e6663fee468162d06	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0014660	2,5-Diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone	2,5-diamino-6-hydroxy-4-(5-phospho-D-ribosylamino)pyrimidine	2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase	Reduction	RHEA	34755880
MMDBr0014661	2,5-Diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone	2,5-diamino-6-hydroxy-4-(5-phospho-D-ribosylamino)pyrimidine	2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase	Reduction	RHEA	34755880
MMDBr0014662	2-amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one	2,5-diamino-6-hydroxy-4-(5-phospho-D-ribosylamino)pyrimidine	2-amino-5-formylamino-6-ribosylaminopyrimidin-4(3H)-one 5'-monophosphate deformylase	Removal of the N-terminal formyl group	RHEA	34755880
MMDBr0024696	Water	Ammonium	Riboflavin biosynthesis protein RibD	Synthesis	RHEA	34755880
MMDBr0024697	Water	Ammonium	Riboflavin biosynthesis protein RibD	Synthesis	RHEA	34755880
MMDBr0024742	Water	D-Ribose-5-phosphate	N-glycosidase Npun_R5314	Synthesis	RHEA	34755880
MMDBr0024750	Water	Hydrogen Ion	GTP cyclohydrolase-2	Hydrolysis of bond; Synthesis	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown
Bacteria	Aquificae	1
Archaea/Archaea	Euryarchaeota	16
Eukaryota/Fungi	Ascomycota	7	Human feces
Archaea	Crenarchaeota	1
Archaea	Euryarchaeota	3

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25244331

PDB ID

Not Available

ChEBI ID

58614

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for 2,5-diamino-6-hydroxy-4-(5-phospho-D-ribosylamino)pyrimidine (MMDBc0031729)

MOL for #<Metabolite:0x00007f5a9ca89ca8>

3D MOL for #<Metabolite:0x00007f5a9ca89ca8>

3D SDF for #<Metabolite:0x00007f5a9ca89ca8>

3D-SDF for #<Metabolite:0x00007f5a9ca89ca8>

PDB for #<Metabolite:0x00007f5a9ca89ca8>

3D PDB for #<Metabolite:0x00007f5a9ca89ca8>

SMILES for #<Metabolite:0x00007f5a9ca89ca8>

INCHI for #<Metabolite:0x00007f5a9ca89ca8>

Structure for #<Metabolite:0x00007f5a9ca89ca8>

3D Structure for #<Metabolite:0x00007f5a9ca89ca8>