MiMeDB: Showing metabocard for Dihydromonapterin-triphosphate (MMDBc0030184)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:57:26 UTC

Update Date

2022-08-31 17:40:30 UTC

Metabolite ID

MMDBc0030184

Metabolite Identification

Common Name

Dihydromonapterin-triphosphate

Description

Dihydromonapterin-triphosphate is a member of the chemical class known as Biopterins and Derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. 7,8-Dihydroneopterin triphosphate (DHNTP) is an intermediate in tetrahydrobiopterin and tetrahydromonopterin biosynthesis. Tetrahydromonapterin is the major tetrahydropterin in E. coli, although the biological role of tetrahydromonapterin in E. coli is currently unknown.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05311207062D          

 32 33  0  0  0  0            999 V2000
   -4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    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
   -2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.5395    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.1105    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.5395    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.1105    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
  4 15  1  1  0  0  0
  6 16  1  1  0  0  0
 17  8  1  0  0  0  0
 25  2  1  0  0  0  0
 28 18  1  0  0  0  0
 28 19  1  0  0  0  0
 28 20  1  0  0  0  0
 28 26  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  2  0  0  0  0
 29 25  1  0  0  0  0
 29 27  1  0  0  0  0
 30 23  2  0  0  0  0
 30 24  1  0  0  0  0
 30 26  1  0  0  0  0
 30 27  1  0  0  0  0
  4 31  1  1  0  0  0
  6 32  1  1  0  0  0
M  CHG  8  10   1  11   1  12   1  19  -1  20  -1  21  -1  24  -1  25   1
M  CHG  1  28   1
M  RAD  1  25   2
M  END


  Mrv0541 05311207062D          

 32 33  0  0  0  0            999 V2000
   -4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    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
   -2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.5395    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.1105    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.5395    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.1105    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
  4 15  1  1  0  0  0
  6 16  1  1  0  0  0
 17  8  1  0  0  0  0
 25  2  1  0  0  0  0
 28 18  1  0  0  0  0
 28 19  1  0  0  0  0
 28 20  1  0  0  0  0
 28 26  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  2  0  0  0  0
 29 25  1  0  0  0  0
 29 27  1  0  0  0  0
 30 23  2  0  0  0  0
 30 24  1  0  0  0  0
 30 26  1  0  0  0  0
 30 27  1  0  0  0  0
  4 31  1  1  0  0  0
  6 32  1  1  0  0  0
M  CHG  8  10   1  11   1  12   1  19  -1  20  -1  21  -1  24  -1  25   1
M  CHG  1  28   1
M  RAD  1  25   2
M  END
> <DATABASE_ID>
MMDBc0030184

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@](O)(C[O+]P([O-])(=O)OP([O-])(=O)O[P+](O)([O-])[O-])[C@@]([H])(O)C1=[N+]=C2C(O)=NC(=[NH2+])NC2=[NH+]C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H6-,10,11,13,14,17,18,19,20,21,22,23,24)/q+1/t4-,6-/m0/s1

> <INCHI_KEY>
FXEIKSFXDSWHMF-NJGYIYPDSA-N

> <FORMULA>
C9H14N5O13P3

> <MOLECULAR_WEIGHT>
493.1544

> <EXACT_MASS>
492.980095095

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
37.6870518893887

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[(1S,2S)-3-[({[(hydrogen phosphonatooxy)phosphinato]oxy}phosphinato)-λ³-oxidanyliumyl]-1,2-dihydroxypropyl]-4-hydroxy-2-iminiumyl-2,7-dihydro-1H-5λ⁵-pteridin-8-ium-5-ylium

> <ALOGPS_LOGP>
1.29

> <JCHEM_LOGP>
-9.181164651666277

> <ALOGPS_LOGS>
-1.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
-1.7928199095360489

> <JCHEM_PKA_STRONGEST_ACIDIC>
-12.170877368184648

> <JCHEM_PKA_STRONGEST_BASIC>
15.212252618589151

> <JCHEM_POLAR_SURFACE_AREA>
298.94000000000005

> <JCHEM_REFRACTIVITY>
121.55469999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.29e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[(1S,2S)-3-{[(hydrogen phosphonatooxyphosphinato)oxyphosphinato]-λ³-oxidanyliumyl}-1,2-dihydroxypropyl]-4-hydroxy-2-iminio-1,7-dihydro-5λ⁵-pteridin-8-ium-5-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 31-MAY-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   31-MAY-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+1
HETATM   11  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+1
HETATM   12  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+1
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+0
HETATM   18  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O-1
HETATM   20  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O-1
HETATM   21  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O-1
HETATM   22  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O-1
HETATM   25  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+1
HETATM   26  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   28  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+1
HETATM   29  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   30  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   31  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    3   11                                                       
CONECT    2    4   25                                                       
CONECT    3    1    6   12                                                  
CONECT    4    2    6   15   31                                             
CONECT    5    7    8   12                                                  
CONECT    6    3    4   16   32                                             
CONECT    7    5   11   13                                                  
CONECT    8    5   14   17                                                  
CONECT    9   10   13   14                                                  
CONECT   10    9                                                            
CONECT   11    1    7                                                       
CONECT   12    3    5                                                       
CONECT   13    7    9                                                       
CONECT   14    8    9                                                       
CONECT   15    4                                                            
CONECT   16    6                                                            
CONECT   17    8                                                            
CONECT   18   28                                                            
CONECT   19   28                                                            
CONECT   20   28                                                            
CONECT   21   29                                                            
CONECT   22   29                                                            
CONECT   23   30                                                            
CONECT   24   30                                                            
CONECT   25    2   29                                                       
CONECT   26   28   30                                                       
CONECT   27   29   30                                                       
CONECT   28   18   19   20   26                                             
CONECT   29   21   22   25   27                                             
CONECT   30   23   24   26   27                                             
CONECT   31    4                                                            
CONECT   32    6                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   66    0
END

Synonyms

Value	Source
Dihydromonapterin-triphosphoric acid	Generator

Molecular Formula

C₉H₁₄N₅O₁₃P₃

Average Mass

493.1544

Monoisotopic Mass

492.980095095

IUPAC Name

6-[(1S,2S)-3-[({[(hydrogen phosphonatooxy)phosphinato]oxy}phosphinato)-λ³-oxidanyliumyl]-1,2-dihydroxypropyl]-4-hydroxy-2-iminiumyl-2,7-dihydro-1H-5λ⁵-pteridin-8-ium-5-ylium

Traditional Name

6-[(1S,2S)-3-{[(hydrogen phosphonatooxyphosphinato)oxyphosphinato]-λ³-oxidanyliumyl}-1,2-dihydroxypropyl]-4-hydroxy-2-iminio-1,7-dihydro-5λ⁵-pteridin-8-ium-5-ylium

CAS Registry Number

Not Available

SMILES

[H][C@](O)(C[O+]P([O-])(=O)OP([O-])(=O)O[P+](O)([O-])[O-])[C@@]([H])(O)C1=[N+]=C2C(O)=NC(=[NH2+])NC2=[NH+]C1

InChI Identifier

InChI=1S/C9H14N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H6-,10,11,13,14,17,18,19,20,21,22,23,24)/q+1/t4-,6-/m0/s1

InChI Key

FXEIKSFXDSWHMF-NJGYIYPDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Biopterins and derivatives

Alternative Parents

Substituents

Biopterin
Organic pyrophosphate
Hydroxypyrimidine
Alkyl phosphate
Pyrimidine
Phosphoric acid ester
Organic phosphoric acid derivative
Heteroaromatic compound
Secondary alcohol
1,2-diol
Azacycle
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Alcohol
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	12.9 g/L	ALOGPS
logP	1.29	ALOGPS
logP	-9.2	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	-12	ChemAxon
pKa (Strongest Basic)	15.21	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	298.94 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	121.55 m³·mol⁻¹	ChemAxon
Polarizability	37.69 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	Deposition Date	View
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

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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

Exposure Sources

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for Dihydromonapterin-triphosphate (MMDBc0030184)

MOL for #<Metabolite:0x00007fdb7043c468>

3D MOL for #<Metabolite:0x00007fdb7043c468>

3D SDF for #<Metabolite:0x00007fdb7043c468>

3D-SDF for #<Metabolite:0x00007fdb7043c468>

PDB for #<Metabolite:0x00007fdb7043c468>

3D PDB for #<Metabolite:0x00007fdb7043c468>

SMILES for #<Metabolite:0x00007fdb7043c468>

INCHI for #<Metabolite:0x00007fdb7043c468>

Structure for #<Metabolite:0x00007fdb7043c468>

3D Structure for #<Metabolite:0x00007fdb7043c468>