MiMeDB: Showing metabocard for Adenosine diphosphate (MMDBc0031997)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:58:00 UTC

Update Date

2022-08-31 18:27:24 UTC

Metabolite ID

MMDBc0031997

Metabolite Identification

Common Name

Adenosine diphosphate

Description

Adenosine diphosphate, abbreviated ADP, is a nucleotide. It is an ester of pyrophosphoric acid with the nucleotide adenine. ADP consists of the pyrophosphate group, the pentose sugar ribose, and the nucleobase adenine.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05041406462D          

 31 33  0  0  1  0            999 V2000
   -0.5683   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -1.0091    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -1.2640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3687   -0.5966    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -4.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512   -4.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -4.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -2.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -3.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -2.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -3.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -4.1048    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -2.7994    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.4991   -1.7306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -2.0117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432   -1.3316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986    0.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  6  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 13  9  2  0  0  0  0
 14  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15  3  1  0  0  0  0
 15  9  1  0  0  0  0
 10 15  1  6  0  0  0
  6 16  1  1  0  0  0
  7 17  1  1  0  0  0
 23  1  1  0  0  0  0
 24  4  1  0  0  0  0
 24 10  1  0  0  0  0
 26 18  1  0  0  0  0
 26 19  1  0  0  0  0
 26 20  2  0  0  0  0
 26 25  1  0  0  0  0
 27 21  1  0  0  0  0
 27 22  2  0  0  0  0
 27 23  1  0  0  0  0
 27 25  1  0  0  0  0
  4 28  1  1  0  0  0
  6 29  1  6  0  0  0
  7 30  1  6  0  0  0
 10 31  1  1  0  0  0
M  END


  Mrv0541 05041406462D          

 31 33  0  0  1  0            999 V2000
   -0.5683   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -1.0091    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -1.2640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3687   -0.5966    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -4.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512   -4.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -4.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -2.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -3.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -2.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -3.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -4.1048    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -2.7994    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.4991   -1.7306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -2.0117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432   -1.3316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986    0.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  6  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 13  9  2  0  0  0  0
 14  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15  3  1  0  0  0  0
 15  9  1  0  0  0  0
 10 15  1  6  0  0  0
  6 16  1  1  0  0  0
  7 17  1  1  0  0  0
 23  1  1  0  0  0  0
 24  4  1  0  0  0  0
 24 10  1  0  0  0  0
 26 18  1  0  0  0  0
 26 19  1  0  0  0  0
 26 20  2  0  0  0  0
 26 25  1  0  0  0  0
 27 21  1  0  0  0  0
 27 22  2  0  0  0  0
 27 23  1  0  0  0  0
 27 25  1  0  0  0  0
  4 28  1  1  0  0  0
  6 29  1  6  0  0  0
  7 30  1  6  0  0  0
 10 31  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0031997

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@]1(COP(O)(=O)OP(O)(O)=O)O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1

> <INCHI_KEY>
XTWYTFMLZFPYCI-DEGSGYPDSA-N

> <FORMULA>
C10H15N5O10P2

> <MOLECULAR_WEIGHT>
427.2011

> <EXACT_MASS>
427.029414749

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
34.23287935470203

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

> <ALOGPS_LOGP>
-1.65

> <JCHEM_LOGP>
-4.982509957435671

> <ALOGPS_LOGS>
-2.12

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.2034782787614007

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7714791300651447

> <JCHEM_PKA_STRONGEST_BASIC>
4.993871515230039

> <JCHEM_POLAR_SURFACE_AREA>
232.59999999999994

> <JCHEM_REFRACTIVITY>
84.94139999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.27e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         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  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+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  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+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+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  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+0
HETATM   25  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   26  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   27  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   28  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    4   23                                                       
CONECT    2   12   13                                                       
CONECT    3   14   15                                                       
CONECT    4    1    6   24   28                                             
CONECT    5    8    9   14                                                  
CONECT    6    4    7   16   29                                             
CONECT    7    6   10   17   30                                             
CONECT    8    5   11   12                                                  
CONECT    9    5   13   15                                                  
CONECT   10    7   15   24   31                                             
CONECT   11    8                                                            
CONECT   12    2    8                                                       
CONECT   13    2    9                                                       
CONECT   14    3    5                                                       
CONECT   15    3    9   10                                                  
CONECT   16    6                                                            
CONECT   17    7                                                            
CONECT   18   26                                                            
CONECT   19   26                                                            
CONECT   20   26                                                            
CONECT   21   27                                                            
CONECT   22   27                                                            
CONECT   23    1   27                                                       
CONECT   24    4   10                                                       
CONECT   25   26   27                                                       
CONECT   26   18   19   20   25                                             
CONECT   27   21   22   23   25                                             
CONECT   28    4                                                            
CONECT   29    6                                                            
CONECT   30    7                                                            
CONECT   31   10                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

Synonyms

Value	Source
Adenosine diphosphoric acid	Generator

Molecular Formula

C₁₀H₁₅N₅O₁₀P₂

Average Mass

427.2011

Monoisotopic Mass

427.029414749

IUPAC Name

[({[(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

Traditional Name

{[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

[H][C@@]1(COP(O)(=O)OP(O)(O)=O)O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])O

InChI Identifier

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1

InChI Key

XTWYTFMLZFPYCI-DEGSGYPDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside diphosphates

Alternative Parents

Substituents

Purine ribonucleoside diphosphate
Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Organic pyrophosphate
Pentose monosaccharide
Imidazopyrimidine
Purine
Monoalkyl phosphate
Aminopyrimidine
Alkyl phosphate
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Imidolactam
Pyrimidine
Azole
Heteroaromatic compound
Imidazole
Tetrahydrofuran
Secondary alcohol
1,2-diol
Azacycle
Oxacycle
Organoheterocyclic compound
Alcohol
Organonitrogen compound
Organic oxide
Organic nitrogen compound
Organooxygen compound
Organopnictogen compound
Organic oxygen compound
Primary amine
Amine
Hydrocarbon derivative
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	3.27 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-5	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
pKa (Strongest Basic)	4.99	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	232.6 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	84.94 m³·mol⁻¹	ChemAxon
Polarizability	34.23 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0911300000-325309be7b3283509309	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0900000000-52a65a0ceda195050776	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-2900000000-d659e329e517aff45c4a	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0900700000-0b8ffa4112429e41a7c3	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-003r-4900000000-9002fde50d542a066140	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9200000000-81d076d6d937e56eabc9	2015-09-15	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-23	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
MMDBr0018046	Carbon dioxide	Phosphate	ATP-dependent dethiobiotin synthetase BioD 1	Synthesis	PathBank	31602464
MMDBr0018050	D-Alanine	Phosphate	D-alanine--D-alanine ligase B	Ligation	PathBank	31602464
MMDBr0018054	L-Alanine	Phosphate	UDP-N-acetylmuramate--L-alanine ligase	Ligation	PathBank	31602464
MMDBr0018055	D-Glutamic acid	Phosphate	UDP-N-acetylmuramoylalanine--D-glutamate ligase	Ligation	PathBank	31602464
MMDBr0018056	L-Aspartic acid	L-Aspartyl-4-phosphate	Lysine-sensitive aspartokinase 3	Phosphorylation	PathBank	31602464
MMDBr0018090	Succinyl-CoA	Succinic acid	Succinate--CoA ligase [ADP-forming] subunit beta	Ligation	PathBank	31602464
MMDBr0018097	Fructose 6-phosphate	Hydrogen Ion	ATP-dependent 6-phosphofructokinase isozyme 2	Phosphorylation	PathBank	31602464
MMDBr0018100	Glyceric acid 1,3-biphosphate	Adenosine triphosphate	Phosphoglycerate kinase	Phosphorylation	PathBank	31602464
MMDBr0018105	Hydrogen Ion	Pyruvic acid	Pyruvate kinase I	Phosphorylation	PathBank	31602464
MMDBr0018120	L-Glutamic acid	L-Glutamine	Glutamine synthetase	Synthesis	PathBank	31602464
MMDBr0018126	N-Acetyl-L-glutamic acid	N-Acetyl-L-glutamyl 5-phosphate	Acetylglutamate kinase	Phosphorylation	PathBank	31602464
MMDBr0018130	Hydrogen carbonate	L-Glutamic acid	Carbamoyl-phosphate synthase large chain	Synthesis	PathBank	31602464
MMDBr0018138	L-Glutamic acid	Hydrogen Ion	Gamma-glutamylputrescine synthetase PuuA	Synthesis	PathBank	31602464
MMDBr0018150	Adenosine triphosphate	Hydrogen Ion	L-xylulose/3-keto-L-gulonate kinase	Phosphorylation	PathBank	31602464
MMDBr0018165	Glyceric acid	Hydrogen Ion	Glycerate 2-kinase	Phosphorylation	PathBank	31602464
MMDBr0018183	Hydrogen carbonate	Hydrogen Ion	Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	Carboxylation	PathBank	31602464
MMDBr0018227	L-Glutamine	Pyrophosphate	Glutamine--tRNA ligase	Ligation	PathBank	31602464
MMDBr0018244	Adenosine triphosphate	Hydrogen Ion	Adenylyl-sulfate kinase	Phosphorylation	PathBank	31602464
MMDBr0018295	Shikimic acid	Hydrogen Ion	Shikimate kinase 2	Phosphorylation	PathBank	31602464
MMDBr0018300	L-Homoserine	Hydrogen Ion	Homoserine kinase	Phosphorylation	PathBank	31602464
MMDBr0018307	Oxalacetic acid	Carbon dioxide	Phosphoenolpyruvate carboxykinase (ATP)	Phosphorylation	PathBank	31602464
MMDBr0018312	Adenosine triphosphate	Glyceric acid 1,3-biphosphate	Phosphoglycerate kinase	Phosphorylation	PathBank	31602464
MMDBr0018317	2-Keto-3-deoxy-D-gluconic acid	Hydrogen Ion	2-dehydro-3-deoxygalactonokinase	Phosphorylation	PathBank	31602464
MMDBr0018320	Adenosine triphosphate	Hydrogen Ion	ATP-dependent 6-phosphofructokinase isozyme 2	Phosphorylation	PathBank	31602464
MMDBr0018323	D-Galactose	Hydrogen Ion	Galactokinase	Phosphorylation	PathBank	31602464
MMDBr0018333	Amylose	Hydrogen Ion	D-allose kinase	Phosphorylation	PathBank	31602464
MMDBr0018337	Adenosine triphosphate	Hydrogen Ion	L-Rhamnulokinase	Phosphorylation	PathBank	31602464
MMDBr0018340	Adenosine triphosphate	Hydrogen Ion	L-fuculokinase	Phosphorylation	PathBank	31602464
MMDBr0018349	Glyceric acid	Hydrogen Ion	Glycerate 2-kinase	Phosphorylation	PathBank	31602464
MMDBr0018354	Pantothenic acid	D-4'-Phosphopantothenate	Not Available		PathBank	31602464
MMDBr0018358	Pantothenic acid	Hydrogen Ion	Pantothenate kinase	Phosphorylation	PathBank	31602464
MMDBr0018362	Adenosine triphosphate	Hydrogen Ion	Dephospho-CoA kinase	Phosphorylation	PathBank	31602464
MMDBr0018370	Nicotinic acid	Nicotinamide ribotide	Nicotinate phosphoribosyltransferase	Transfer of a ribosyl group	PathBank	31602464
MMDBr0018373	Nicotinamide riboside	Hydrogen Ion	Trifunctional NAD biosynthesis/regulator protein NadR	Synthesis	PathBank	31602464
MMDBr0018380	Adenosine triphosphate	Hydrogen Ion	Tetraacyldisaccharide 4'-kinase	Phosphorylation	PathBank	31602464
MMDBr0018388	(KDO)2-lipid A	Hydrogen Ion	Lipopolysaccharide heptosyltransferase 1		PathBank	31602464
MMDBr0018389	Heptosyl-KDO2-lipid A	Hydrogen Ion	ADP-heptose--LPS heptosyltransferase 2		PathBank	31602464
MMDBr0018391	Adenosine triphosphate	Hydrogen Ion	Lipopolysaccharide core heptose(I) kinase rfaP	Phosphorylation	PathBank	31602464
MMDBr0018392	ADP-L-glycero-beta-D-manno-heptose	Hydrogen Ion	Lipopolysaccharide core heptosyltransferase rfaQ		PathBank	31602464
MMDBr0018393	Adenosine triphosphate	Hydrogen Ion	Lipopolysaccharide core heptose(II) kinase rfaY	Phosphorylation	PathBank	31602464
MMDBr0018397	ADP-L-glycero-beta-D-manno-heptose	Hydrogen Ion	Lipopolysaccharide 1,2-N-acetylglucosaminetransferase		PathBank	31602464
MMDBr0018398	L-Glutamic acid	Hydrogen Ion	Glutamate--cysteine ligase	Ligation	PathBank	31602464
MMDBr0018399	Glycine	Hydrogen Ion	Glutathione synthetase	Synthesis	PathBank	31602464
MMDBr0018408	2-Keto-3-deoxy-D-gluconic acid	Hydrogen Ion	2-dehydro-3-deoxygluconokinase	Phosphorylation	PathBank	31602464
MMDBr0018412	Adenosine triphosphate	Hydrogen Ion	Autoinducer-2 kinase	Phosphorylation	PathBank	31602464
MMDBr0018427	Pyruvic acid	Oxalacetic acid	Acetyl-CoA carboxylase	Carboxylation	PathBank	31602464
MMDBr0018432	D-Glucose	Hydrogen Ion	Glucokinase	Phosphorylation	PathBank	31602464
MMDBr0018437	N-Acetyl-D-glucosamine	Hydrogen Ion	N-acetyl-D-glucosamine kinase	Phosphorylation	PathBank	31602464
MMDBr0018454	Pyridoxine	Hydrogen Ion	Pyridoxine/pyridoxal/pyridoxamine kinase	Phosphorylation	PathBank	31602464
MMDBr0018456	Pyridoxal	Pyridoxal 5'-phosphate	Pyridoxine/pyridoxal/pyridoxamine kinase	Phosphorylation	PathBank	31602464
MMDBr0018458	Pyridoxamine	Pyridoxamine 5'-phosphate	Pyridoxine/pyridoxal/pyridoxamine kinase	Phosphorylation	PathBank	31602464
MMDBr0018460	Adenosine triphosphate	Thiamine pyrophosphate	Thiamine-monophosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018500	L-Glutamic acid	Hydrogen Ion	Dihydrofolate synthase/folylpolyglutamate synthase	Synthesis	PathBank	31602464
MMDBr0018504	Adenosine triphosphate	Phosphoribosyl pyrophosphate	Ribose 1,5-bisphosphate phosphokinase PhnN	Phosphorylation	PathBank	31602464
MMDBr0018506	Glycine	Hydrogen Ion	Phosphoribosylamine--glycine ligase	Ligation	PathBank	31602464
MMDBr0018507	Formic acid	Hydrogen Ion	Formate-dependent phosphoribosylglycinamide formyltransferase	Transfer of a formyl group	PathBank	31602464
MMDBr0018508	L-Glutamine	L-Glutamic acid	Phosphoribosylformylglycinamidine synthase	Synthesis	PathBank	31602464
MMDBr0018509	Adenosine triphosphate	Hydrogen Ion	Phosphoribosylformylglycinamidine cyclo-ligase	Ligation	PathBank	31602464
MMDBr0018510	Hydrogen carbonate	Hydrogen Ion	N5-carboxyaminoimidazole ribonucleotide synthase	Synthesis	PathBank	31602464
MMDBr0018512	L-Aspartic acid	Hydrogen Ion	Phosphoribosylaminoimidazole-succinocarboxamide synthase	Synthesis	PathBank	31602464
MMDBr0018519	Adenosine monophosphate	Adenosine triphosphate	Adenylate kinase	Phosphorylation	PathBank	31602464
MMDBr0018521	Adenosine triphosphate	Guanosine diphosphate	Guanylate kinase	Phosphorylation	PathBank	31602464
MMDBr0018522	Adenosine triphosphate	Adenosine diphosphate	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018525	Adenosine triphosphate	dGTP	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018527	Hydrogen Ion	Hydrogen Ion	ATP synthase epsilon chain	Synthesis	PathBank	31602464
MMDBr0018529	Adenosine diphosphate	Water	Anaerobic ribonucleoside-triphosphate reductase	Reduction	PathBank	31602464
MMDBr0018530	Adenosine diphosphate	Water	Ribonucleoside-diphosphate reductase 2 subunit beta	Reduction	PathBank	31602464
MMDBr0018531	Adenosine triphosphate	dATP	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018532	Adenosine triphosphate	Hydrogen Ion	1-phosphofructokinase	Phosphorylation	PathBank	31602464
MMDBr0018536	Glycerol	Hydrogen Ion	Glycerol kinase	Phosphorylation	PathBank	31602464
MMDBr0018541	L-Alanine	Hydrogen Ion	UDP-N-acetylmuramate--L-alanine ligase	Ligation	PathBank	31602464
MMDBr0018542	Adenosine triphosphate	Hydrogen Ion	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase	Ligation	PathBank	31602464
MMDBr0018543	Adenosine triphosphate	Hydrogen Ion	UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase	Ligation	PathBank	31602464
MMDBr0018584	Propanoyl phosphate	Propionic acid	Acetate kinase	Phosphorylation	PathBank	31602464
MMDBr0018594	D-Fructose	Hydrogen Ion	Fructokinase	Phosphorylation	PathBank	31602464
MMDBr0018599	Amylose	Amylose	Glycogen synthase	Synthesis	PathBank	31602464
MMDBr0018611	D-Glucose	Hydrogen Ion	Glucokinase	Phosphorylation	PathBank	31602464
MMDBr0018617	Uridine 5'-monophosphate	Uridine 5'-diphosphate	Uridylate kinase	Phosphorylation	PathBank	31602464
MMDBr0018618	Uridine 5'-diphosphate	Uridine triphosphate	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018619	L-Glutamine	L-Glutamic acid	CTP synthase	Synthesis	PathBank	31602464
MMDBr0018621	Adenosine triphosphate	dCTP	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018623	Adenosine triphosphate	Deoxyuridine triphosphate	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018626	Adenosine triphosphate	Thymidine 5'-triphosphate	Nucleoside diphosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0018654	Adenosine triphosphate	Hydrogen Ion	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	Phosphorylation	PathBank	31602464
MMDBr0018824	Adenosine triphosphate	Hydrogen Ion	Stress response kinase A	Phosphorylation	PathBank	31602464
MMDBr0018826	Adenosine triphosphate	Hydrogen Ion	Bifunctional adenosylcobalamin biosynthesis protein CobU	Synthesis	PathBank	31602464
MMDBr0018836	Pseudouridine	Hydrogen Ion	Pseudouridine kinase	Phosphorylation	PathBank	31602464
MMDBr0018854	Nitrogen	Ammonia	Flavodoxin-1		PathBank	31602464
MMDBr0018860	Itaconic acid	Phosphate	Not Available		PathBank	31602464
MMDBr0018862	Adenosine triphosphate	Hydrogen Ion	7-cyano-7-deazaguanine synthase	Synthesis	PathBank	31602464
MMDBr0018930	Water	Adenosine diphosphate	Anhydro-N-acetylmuramic acid kinase	Phosphorylation	PathBank	31602464
MMDBr0019059	Riboflavin	Hydrogen Ion	Bifunctional riboflavin kinase/FMN adenylyltransferase	Phosphorylation	PathBank	31602464
MMDBr0019101	Gluconic acid	Hydrogen Ion	Thermosensitive gluconokinase	Phosphorylation	PathBank	31602464
MMDBr0019200	Adenosine triphosphate	Adenosine diphosphate	Hydroxymethylpyrimidine/phosphomethylpyrimidine kinase	Phosphorylation	PathBank	31602464
MMDBr0019202	Adenosine triphosphate	Thiamine pyrophosphate	Thiamine-monophosphate kinase	Phosphorylation	PathBank	31602464
MMDBr0019205	N-Acetylmannosamine	Hydrogen Ion	N-acetylmannosamine kinase	Phosphorylation	PathBank	31602464
MMDBr0019210	Hydrogen carbonate	Hydrogen Ion	N5-carboxyaminoimidazole ribonucleotide synthase	Synthesis	PathBank	31602464
MMDBr0019247	Adenosine triphosphate	Hydrogen Ion	Fructoselysine 6-kinase	Phosphorylation	PathBank	31602464
MMDBr0019252	Hydrogen Ion	Carbon dioxide	Carbamate kinase	Phosphorylation	PathBank	31602464
MMDBr0019257	L-Glutamic acid	Hydrogen Ion	Gamma-glutamylputrescine synthetase PuuA	Synthesis	PathBank	31602464
MMDBr0019271	Deoxyuridine	Hydrogen Ion	Thymidine kinase	Phosphorylation	PathBank	31602464
MMDBr0019275	Thymidine	Hydrogen Ion	Thymidine kinase	Phosphorylation	PathBank	31602464
MMDBr0019277	Adenosine triphosphate	Hydrogen Ion	UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase	Ligation	PathBank	31602464
MMDBr0019281	Water	Hydrogen Ion	Anhydro-N-acetylmuramic acid kinase	Phosphorylation	PathBank	31602464
MMDBr0019287	D-Glutamic acid	Phosphate	UDP-N-acetylmuramoylalanine--D-glutamate ligase	Ligation	PathBank	31602464
MMDBr0019288	L-Alanine	Hydrogen Ion	UDP-N-acetylmuramate--L-alanine ligase	Ligation	PathBank	31602464
MMDBr0019296	Hydrogen Ion	Water	Acetyl-coenzyme A carboxylase carboxyl transferase subunit alpha	Carboxylation	PathBank	31602464
MMDBr0019297	Hydrogen carbonate	Hydrogen Ion	Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	Carboxylation	PathBank	31602464
MMDBr0019304	Inosine	Hydrogen Ion	Guanosine-inosine kinase	Phosphorylation	PathBank	31602464
MMDBr0019308	Guanosine	Hydrogen Ion	Guanosine-inosine kinase	Phosphorylation	PathBank	31602464
MMDBr0019325	Adenosine triphosphate	Hydrogen Ion	NAD kinase	Phosphorylation	PathBank	31602464
MMDBr0019341	Acetylphosphate	Acetic acid	Acetate kinase	Phosphorylation	PathBank	31602464
MMDBr0019354	Adenosine triphosphate	Hydrogen Ion	Bifunctional protein HldE	Phosphorylation	PathBank	31602464
MMDBr0019359	Glyceric acid	Hydrogen Ion	Glycerate 2-kinase	Phosphorylation	PathBank	31602464
MMDBr0019361	Adenosine triphosphate	Hydrogen Ion	Glucokinase	Phosphorylation	PathBank	31602464
MMDBr0019362	Adenosine triphosphate	Hydrogen Ion	ATP-dependent 6-phosphofructokinase isozyme 2	Phosphorylation	PathBank	31602464
MMDBr0019367	L-Xylulose	Hydrogen Ion	L-xylulose/3-keto-L-gulonate kinase	Phosphorylation	PathBank	31602464
MMDBr0019370	D-Ribose	Hydrogen Ion	Ribokinase	Phosphorylation	PathBank	31602464
MMDBr0019371	L-Ribulose	Hydrogen Ion	Ribulokinase	Phosphorylation	PathBank	31602464
MMDBr0019372	D-Xylulose	Hydrogen Ion	Xylulose kinase	Phosphorylation	PathBank	31602464
MMDBr0019395	Succinyl-CoA	Succinic acid	Not Available		PathBank	31602464
MMDBr0019400	L-Glutamic acid	Adenosine diphosphate	Glutamate 5-kinase	Phosphorylation	PathBank	31602464
MMDBr0019421	Carbon dioxide	Hydrogen Ion	Dethiobiotin synthetase	Synthesis	PathBank	31602464
MMDBr0019431	Pantothenic acid	Hydrogen Ion	Pantothenate kinase CAB1	Phosphorylation	PathBank	31602464
MMDBr0019435	Adenosine triphosphate	Hydrogen Ion	Dephospho-CoA kinase CAB5	Phosphorylation	PathBank	31602464
MMDBr0019445	L-Aspartic acid	L-Aspartyl-4-phosphate	Aspartokinase	Phosphorylation	PathBank	31602464
MMDBr0019455	D-Glucose	Glucose 6-phosphate	Putative glucokinase-2	Phosphorylation	PathBank	31602464
MMDBr0019456	Adenosine triphosphate	Glucose 6-phosphate	Putative glucokinase-2	Phosphorylation	PathBank	31602464
MMDBr0019458	D-Glucose	beta-D-Glucose 6-phosphate	Putative glucokinase-2	Phosphorylation	PathBank	31602464
MMDBr0019461	Fructose 6-phosphate	Fructose 1,6-bisphosphate	ATP-dependent 6-phosphofructokinase subunit alpha	Phosphorylation	PathBank	31602464
MMDBr0019467	Glyceric acid 1,3-biphosphate	Adenosine triphosphate	Phosphoglycerate kinase	Phosphorylation	PathBank	31602464
MMDBr0019472	Pyruvic acid	Phosphoenolpyruvic acid	Pyruvate kinase 1	Phosphorylation	PathBank	31602464
MMDBr0019475	Adenosine triphosphate	Hydrogen Ion	6-phosphofructo-2-kinase 1	Phosphorylation	PathBank	31602464
MMDBr0019479	Adenosine triphosphate	Hydrogen Ion	Putative glucokinase-2	Phosphorylation	PathBank	31602464
MMDBr0019481	D-Mannose	Hydrogen Ion	Hexokinase-1	Phosphorylation	PathBank	31602464
MMDBr0019484	L-Glutamic acid	Hydrogen Ion	Glutamate--cysteine ligase	Ligation	PathBank	31602464
MMDBr0019485	Glycine	Hydrogen Ion	Glutathione synthetase GSH2	Synthesis	PathBank	31602464
MMDBr0019489	D-Galactose	Hydrogen Ion	Galactokinase	Phosphorylation	PathBank	31602464
MMDBr0019502	N10-Formyl-THF	Formic acid	C-1-tetrahydrofolate synthase, mitochondrial	Synthesis	PathBank	31602464
MMDBr0019505	L-Aspartic acid	L-Aspartyl-4-phosphate	Aspartokinase	Phosphorylation	PathBank	31602464
MMDBr0019508	L-Homoserine	Hydrogen Ion	Not Available		PathBank	31602464
MMDBr0019543	Adenosine triphosphate	Adenosine diphosphate	Dihydroxyacetone kinase 2	Phosphorylation	PathBank	31602464
MMDBr0019546	3-Phosphoglyceric acid	Glyceric acid	D-glycerate 3-kinase	Phosphorylation	PathBank	31602464
MMDBr0019547	Glycerol	Glycerol 3-phosphate	Glycerol kinase	Phosphorylation	PathBank	31602464
MMDBr0019554	D-Fructose	beta-D-Fructose 6-phosphate	Hexokinase-1	Phosphorylation	PathBank	31602464
MMDBr0019569	L-Glutamic acid	Hydrogen Ion	Dihydrofolate synthetase	Synthesis	PathBank	31602464
MMDBr0019605	Nicotinamide riboside	Hydrogen Ion	Nicotinamide riboside kinase	Phosphorylation	PathBank	31602464
MMDBr0019607	Nicotinic acid	Phosphate	Nicotinate phosphoribosyltransferase	Transfer of a ribosyl group	PathBank	31602464
MMDBr0019611	Nicotinic acid ribonucleoside	Hydrogen Ion	Nicotinamide riboside kinase	Phosphorylation	PathBank	31602464
MMDBr0019614	D-Xylulose	Hydrogen Ion	Xylulose kinase	Phosphorylation	PathBank	31602464
MMDBr0019649	Riboflavin	Flavin mononucleotide	Riboflavin kinase	Phosphorylation	PathBank	31602464
MMDBr0019655	Pyruvic acid	Phosphoenolpyruvic acid	Pyruvate kinase 1	Phosphorylation	PathBank	31602464
MMDBr0019657	Pyruvic acid	Oxalacetic acid	Pyruvate carboxylase 1	Carboxylation	PathBank	31602464
MMDBr0019658	Oxalacetic acid	Phosphoenolpyruvic acid	Phosphoenolpyruvate carboxykinase (ATP)	Phosphorylation	PathBank	31602464
MMDBr0019672	Hydrogen carbonate	Malonyl-CoA	Acetyl-CoA carboxylase	Carboxylation	PathBank	31602464
MMDBr0019757	Pantothenic acid	Hydrogen Ion	Pantothenate kinase CAB1	Phosphorylation	PathBank	31602464
MMDBr0019785	Hydrogen carbonate	L-Glutamic acid	Protein URA2		PathBank	31602464
MMDBr0019790	Uridine 5'-monophosphate	Uridine 5'-diphosphate	Not Available		PathBank	31602464
MMDBr0019791	Uridine 5'-diphosphate	Uridine triphosphate	Not Available		PathBank	31602464
MMDBr0019792	L-Glutamine	L-Glutamic acid	Not Available		PathBank	31602464
MMDBr0019794	Adenosine triphosphate	dCTP	Not Available		PathBank	31602464
MMDBr0019796	Adenosine triphosphate	Deoxyuridine triphosphate	Not Available		PathBank	31602464
MMDBr0019798	Adenosine triphosphate	Thymidine 5'-triphosphate	Not Available		PathBank	31602464
MMDBr0019836	Glycine	Hydrogen Ion	Not Available		PathBank	31602464
MMDBr0019837	Formic acid	Hydrogen Ion	Phosphoribosylaminoimidazole carboxylase	Carboxylation	PathBank	31602464
MMDBr0019838	L-Glutamine	L-Glutamic acid	Not Available		PathBank	31602464
MMDBr0019839	Adenosine triphosphate	Hydrogen Ion	Not Available		PathBank	31602464
MMDBr0019840	Hydrogen carbonate	Hydrogen Ion	Not Available		PathBank	31602464
MMDBr0019842	L-Aspartic acid	Hydrogen Ion	Not Available		PathBank	31602464
MMDBr0019848	Adenosine monophosphate	Adenosine triphosphate	Adenylate kinase	Phosphorylation	PathBank	31602464
MMDBr0019850	Adenosine triphosphate	Guanosine diphosphate	Guanylate kinase	Phosphorylation	PathBank	31602464
MMDBr0019851	Adenosine triphosphate	Adenosine diphosphate	Not Available		PathBank	31602464
MMDBr0019854	Adenosine triphosphate	dGTP	Not Available		PathBank	31602464
MMDBr0019856	Hydrogen Ion	Hydrogen Ion	ATP synthase subunit beta, mitochondrial	Synthesis	PathBank	31602464
MMDBr0019858	Adenosine diphosphate	Water	Not Available		PathBank	31602464
MMDBr0019859	Adenosine diphosphate	Water	Not Available		PathBank	31602464
MMDBr0019860	Adenosine triphosphate	dATP	Not Available		PathBank	31602464
MMDBr0019863	Itaconic acid	Phosphate	Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial	Ligation	PathBank	31602464
MMDBr0019866	Sphinganine	Adenosine diphosphate	Not Available		PathBank	31602464
MMDBr0019867	Adenosine diphosphate	Sphinganine	Not Available		PathBank	31602464
MMDBr0019871	Sphingosine	Adenosine diphosphate	Not Available		PathBank	31602464
MMDBr0019872	Adenosine diphosphate	Sphingosine	Not Available		PathBank	31602464
MMDBr0019881	D-Fructose	beta-D-Fructose 6-phosphate	Putative glucokinase-2	Phosphorylation	PathBank	31602464
MMDBr0019883	Adenosine triphosphate	Glucose 6-phosphate	Putative glucokinase-2	Phosphorylation	PathBank	31602464
MMDBr0019903	Mevalonic acid	Adenosine diphosphate	Mevalonate kinase	Phosphorylation	PathBank	31602464
MMDBr0019904	Adenosine triphosphate	Adenosine diphosphate	Phosphomevalonate kinase	Phosphorylation	PathBank	31602464
MMDBr0019905	Adenosine triphosphate	Carbon dioxide	Diphosphomevalonate decarboxylase	Carboxylation	PathBank	31602464
MMDBr0019930	Adenosine triphosphate	Hydrogen Ion	Adenylyl-sulfate kinase	Phosphorylation	PathBank	31602464
MMDBr0019942	Adenosine triphosphate	4-Amino-2-methyl-5-phosphomethylpyrimidine	Hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20	Phosphorylation	PathBank	31602464
MMDBr0019943	Adenosine triphosphate	2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate	Hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20	Phosphorylation	PathBank	31602464
MMDBr0019946	5-(2-Hydroxyethyl)-4-methylthiazole	Hydrogen Ion	Thiamine biosynthetic bifunctional enzyme	Thiamine biosynthesis	PathBank	31602464
MMDBr0019955	Pyridoxine	Hydrogen Ion	Not Available		PathBank	31602464
MMDBr0019957	Pyridoxal	Pyridoxal 5'-phosphate	Not Available		PathBank	31602464
MMDBr0019959	Pyridoxamine	Pyridoxamine 5'-phosphate	Not Available		PathBank	31602464
MMDBr0019986	Ethanolamine	Hydrogen Ion	Ethanolamine kinase	Phosphorylation	PathBank	31602464
MMDBr0019990	Choline	Hydrogen Ion	Choline kinase	Phosphorylation	PathBank	31602464
MMDBr0019993	Adenosine triphosphate	Adenosine diphosphate	Inositol polyphosphate multikinase	Phosphorylation	PathBank	31602464
MMDBr0019994	Adenosine triphosphate	Myo-inositol hexakisphosphate	Not Available		PathBank	31602464
MMDBr0019996	Adenosine triphosphate	Adenosine diphosphate	Not Available		PathBank	31602464
MMDBr0019997	Adenosine triphosphate	Adenosine diphosphate	Not Available		PathBank	31602464
MMDBr0019998	Adenosine triphosphate	Adenosine diphosphate	Not Available		PathBank	31602464
MMDBr0020000	Adenosine triphosphate	Adenosine diphosphate	Not Available		PathBank	31602464
MMDBr0020008	Adenosine triphosphate	Hydrogen Ion	Inositol-pentakisphosphate 2-kinase	Phosphorylation	PathBank	31602464
MMDBr0020009	Hydrogen Ion	Adenosine diphosphate	Inositol polyphosphate multikinase	Phosphorylation	PathBank	31602464
MMDBr0020010	Hydrogen Ion	Adenosine diphosphate	Inositol polyphosphate multikinase	Phosphorylation	PathBank	31602464
MMDBr0020011	Hydrogen Ion	Adenosine diphosphate	Inositol polyphosphate multikinase	Phosphorylation	PathBank	31602464
MMDBr0020012	Adenosine triphosphate	Adenosine diphosphate	Inositol polyphosphate multikinase	Phosphorylation	PathBank	31602464
MMDBr0020013	Adenosine triphosphate	Adenosine diphosphate	Inositol polyphosphate multikinase	Phosphorylation	PathBank	31602464
MMDBr0020014	Adenosine triphosphate	Adenosine diphosphate	Inositol polyphosphate multikinase	Phosphorylation	PathBank	31602464
MMDBr0020015	Adenosine triphosphate	Adenosine diphosphate	Inositol polyphosphate multikinase	Phosphorylation	PathBank	31602464
MMDBr0020020	Adenosine triphosphate	Adenosine diphosphate	1-phosphatidylinositol 3-phosphate 5-kinase FAB1	Phosphorylation	PathBank	31602464
MMDBr0020021	Adenosine triphosphate	Adenosine diphosphate	Phosphatidylinositol 3-kinase VPS34	Phosphorylation	PathBank	31602464
MMDBr0020022	Adenosine triphosphate	Adenosine diphosphate	Serine/threonine-protein kinase VPS15	Phosphorylation	PathBank	31602464
MMDBr0020023	Adenosine triphosphate	Adenosine diphosphate	Phosphatidylinositol 4-kinase PIK1	Phosphorylation	PathBank	31602464
MMDBr0020024	Adenosine diphosphate	Adenosine triphosphate	Phosphatidylinositol 4-kinase PIK1	Phosphorylation	PathBank	31602464
MMDBr0020048	Ammonia	L-Glutamine	Glutamine synthetase	Synthesis	PathBank	31602464
MMDBr0020668	L-Glutamic acid	L-Glutamic acid 5-phosphate	Glutamate 5-kinase	Phosphorylation	PathBank	31602464
MMDBr0020673	Adenosine triphosphate	dTDP	Thymidylate kinase	Phosphorylation	PathBank	31602464
MMDBr0026017	Phosphate	Adenosine diphosphate	Ribonuclease PH	RNA degradation	RHEA	34755880
MMDBr0026032	Adenosine monophosphate	Adenosine diphosphate	GTP:AMP phosphotransferase, mitochondrial	Transfer of phosphate group	RHEA	34755880
MMDBr0026043	ADP-alpha-D-glucose	Adenosine diphosphate	Sucrose synthase	Synthesis	RHEA	34755880
MMDBr0026055	Deoxycytidine	Adenosine diphosphate	Deoxyadenosine/deoxycytidine kinase	Phosphorylation	RHEA	34755880
MMDBr0026059	2'-Deoxyadenosine 5'-diphosphate	L-Cysteine	Vitamin B12-dependent ribonucleoside-diphosphate reductase	Reduction	RHEA	34755880
MMDBr0026063	Adenosine triphosphate	Adenosine diphosphate	Nucleoside-triphosphatase THEP1	Dephosphorylation	RHEA	34755880
MMDBr0026098	(2R)-3-phosphoglyceric acid	(2R)-2-O-(alpha-D-glucopyranosyl)-3-phospho-glyceric acid	Glucosyl-3-phosphoglycerate synthase	Synthesis	RHEA	34755880
MMDBr0026102	(2R)-3-phosphoglyceric acid	(2R)-2-O-(alpha-D-glucopyranosyl)-3-phospho-glyceric acid	Glucosyl-3-phosphoglycerate synthase	Synthesis	RHEA	34755880
MMDBr0026106	ADP-alpha-D-glucose	Adenosine diphosphate	Trehalose synthase	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

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

Adenosine diphosphate

METLIN ID

Not Available

PubChem Compound

449469

PDB ID

LA8

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 Adenosine diphosphate (MMDBc0031997)

MOL for #<Metabolite:0x000055c79a82a070>

3D MOL for #<Metabolite:0x000055c79a82a070>

3D SDF for #<Metabolite:0x000055c79a82a070>

3D-SDF for #<Metabolite:0x000055c79a82a070>

PDB for #<Metabolite:0x000055c79a82a070>

3D PDB for #<Metabolite:0x000055c79a82a070>

SMILES for #<Metabolite:0x000055c79a82a070>

INCHI for #<Metabolite:0x000055c79a82a070>

Structure for #<Metabolite:0x000055c79a82a070>

3D Structure for #<Metabolite:0x000055c79a82a070>