MiMeDB: Showing metabocard for Pyridoxine 5'-phosphate (MMDBc0029617)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:34:43 UTC

Update Date

2022-08-31 13:59:48 UTC

Metabolite ID

MMDBc0029617

Metabolite Identification

Common Name

Pyridoxine 5'-phosphate

Description

Pyridoxine 5'-phosphate is a substrate for Pyridoxine-5'-phosphate oxidase and Pyridoxal kinase.

Structure

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


  Mrv1652309042000212D          

 16 16  0  0  0  0            999 V2000
    2.1434    1.2375    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
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029617

> <DATABASE_NAME>
MIME

> <SMILES>
CC1=NC=C(COP(O)(O)=O)C(CO)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)

> <INCHI_KEY>
WHOMFKWHIQZTHY-UHFFFAOYSA-N

> <FORMULA>
C8H12NO6P

> <MOLECULAR_WEIGHT>
249.1577

> <EXACT_MASS>
249.040223633

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
21.726701172777485

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-0.80

> <JCHEM_LOGP>
-3.640999575634358

> <ALOGPS_LOGS>
-1.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.798869153656689

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7391293357611506

> <JCHEM_PKA_STRONGEST_BASIC>
5.554512423881395

> <JCHEM_POLAR_SURFACE_AREA>
120.11000000000001

> <JCHEM_REFRACTIVITY>
54.97820000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.41e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pyridoxine-5'-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       2.667   0.000   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       1.334  -0.770   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      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0      -4.001  -0.770   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0      -5.335  -1.540   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -4.771   0.564   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -3.231  -2.104   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   15                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8                                                            
CONECT   12    5   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12    2   16                                                  
CONECT   16   15                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0001319
HETATM    1  C1  UNL     1       2.962  -1.638   1.653  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.794  -1.080   0.882  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.712  -1.800   0.619  1.00  0.00           N  
HETATM    4  C3  UNL     1      -0.349  -1.296  -0.080  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.354  -0.015  -0.551  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.451   0.566  -1.334  1.00  0.00           C  
HETATM    7  O1  UNL     1      -2.534  -0.231  -1.497  1.00  0.00           O  
HETATM    8  P1  UNL     1      -3.377  -0.642  -0.118  1.00  0.00           P  
HETATM    9  O2  UNL     1      -4.664   0.200  -0.139  1.00  0.00           O  
HETATM   10  O3  UNL     1      -2.597  -0.250   1.316  1.00  0.00           O  
HETATM   11  O4  UNL     1      -3.881  -2.247  -0.069  1.00  0.00           O  
HETATM   12  C6  UNL     1       0.796   0.784  -0.286  1.00  0.00           C  
HETATM   13  C7  UNL     1       0.758   2.146  -0.803  1.00  0.00           C  
HETATM   14  O5  UNL     1       1.866   2.892  -0.540  1.00  0.00           O  
HETATM   15  C8  UNL     1       1.821   0.254   0.406  1.00  0.00           C  
HETATM   16  O6  UNL     1       2.982   0.913   0.728  1.00  0.00           O  
HETATM   17  H1  UNL     1       3.030  -1.126   2.631  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.903  -2.733   1.717  1.00  0.00           H  
HETATM   19  H3  UNL     1       3.891  -1.339   1.089  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.181  -1.954  -0.269  1.00  0.00           H  
HETATM   21  H5  UNL     1      -1.819   1.478  -0.760  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.077   1.017  -2.285  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.481  -1.045   1.868  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.855  -2.695  -0.928  1.00  0.00           H  
HETATM   25  H9  UNL     1       0.703   2.057  -1.937  1.00  0.00           H  
HETATM   26  H10 UNL     1      -0.195   2.679  -0.551  1.00  0.00           H  
HETATM   27  H11 UNL     1       2.299   3.312  -1.320  1.00  0.00           H  
HETATM   28  H12 UNL     1       3.300   1.793   0.559  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3    3   15
CONECT    3    4
CONECT    4    5    5   20
CONECT    5    6   12
CONECT    6    7   21   22
CONECT    7    8
CONECT    8    9    9   10   11
CONECT   10   23
CONECT   11   24
CONECT   12   13   15   15
CONECT   13   14   25   26
CONECT   14   27
CONECT   15   16
CONECT   16   28
END

Synonyms

Value	Source
Pyridoxine 5'-(dihydrogen phosphate)	ChEBI
Pyridoxine 5-phosphate	ChEBI
Pyridoxine phosphate	ChEBI
PYRIDOXINE-5'-phosphATE	ChEBI
Pyridoxol 5'-phosphate	ChEBI
Pyridoxol 5-phosphate	ChEBI
Pyridoxyl-5-phosphate	ChEBI
Pyridoxine 5'-(dihydrogen phosphoric acid)	Generator
Pyridoxine 5-phosphoric acid	Generator
Pyridoxine phosphoric acid	Generator
PYRIDOXINE-5'-phosphoric acid	Generator
Pyridoxol 5'-phosphoric acid	Generator
Pyridoxol 5-phosphoric acid	Generator
Pyridoxyl-5-phosphoric acid	Generator
Pyridoxine 5'-phosphoric acid	Generator
5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate	HMDB
5-Hydroxy-6-methyl-3,4-pyridinedimethanol alpha( 3)-(dihydrogen phosphate)	HMDB
Pyridoxine-5P	HMDB
Pyridoxine-p	HMDB
Pyridoxine-phosphate	HMDB
Pyridoxine 5-phosphate hydrochloride	HMDB
5-Phosphopyridoxine	HMDB

Molecular Formula

C₈H₁₂NO₆P

Average Mass

249.1577

Monoisotopic Mass

249.040223633

IUPAC Name

{[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}phosphonic acid

Traditional Name

pyridoxine-5'-phosphate

CAS Registry Number

447-05-2

SMILES

CC1=NC=C(COP(O)(O)=O)C(CO)=C1O

InChI Identifier

InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)

InChI Key

WHOMFKWHIQZTHY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridoxine-5'-phosphates. These are pyridoxines that carry a phosphate group at the 5-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Pyridoxines

Direct Parent

Pyridoxine-5'-phosphates

Alternative Parents

Substituents

Pyridoxine-5'-phosphate
Monoalkyl phosphate
Hydroxypyridine
Methylpyridine
Organic phosphoric acid derivative
Alkyl phosphate
Phosphoric acid ester
Heteroaromatic compound
Azacycle
Hydrocarbon derivative
Alcohol
Aromatic alcohol
Organic nitrogen compound
Primary alcohol
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

vitamin B6 phosphate (CHEBI:28803 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	9.41 g/L	ALOGPS
logP	-0.8	ALOGPS
logP	-3.6	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	1.74	ChemAxon
pKa (Strongest Basic)	5.55	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	120.11 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	54.98 m³·mol⁻¹	ChemAxon
Polarizability	21.73 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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 GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9530000000-1e967afad92165e82bee	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00di-9226000000-49f5293644ca681d401b	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0ue9-0590000000-68640055ed308d852fd0	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0f89-0900000000-1450b9f084acf6421d59	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-4900000000-8fd6492e6f2a6bea9879	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-8090000000-65f73f2c7a460a3fca23	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9010000000-5b0859a6a40a458fcc9f	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a6fead236e12d88986b8	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0290000000-da88c1789911b79c0362	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0ff0-0910000000-366dc9237952c888f4b8	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-2900000000-cd37cb30cd544c5f866a	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002b-9010000000-64a9d47104102ec4486f	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-ef724d5177083af378f0	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Feces

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
MMDBp0192313	Pyridoxine-5'-phosphate oxidase	Unknown	Q9NVS9	Homo sapiens
MMDBp0192664	Pyridoxal kinase	Unknown	O00764	Homo sapiens
MMDBp0193940	Pyridoxal phosphate phosphatase	Unknown	Q96GD0	Homo sapiens
MMDBp0195556	Pyridoxal phosphate phosphatase PHOSPHO2	Unknown	Q8TCD6	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0001903	Oxygen	Hydrogen peroxide	Not Available	Pyridoxine 5'-Phosphate Oxidase	VMH	15182361 6380540
MMDBr0001904	Water	Phosphate	Not Available	Pyridoxine 5-Phosphate Phosphatase	VMH; KEGG	30371894
MMDBr0002107	Pyridoxine 5'-phosphate	L-Alanine	Selenocysteine lyase	Selenocysteine Lyase	VMH	1483038
MMDBr0007208	3-Amino-2-oxopropyl phosphate	Hydrogen Ion	Not Available	Pyridoxine 5-phosphate synthase	VMH	30371894
MMDBr0007952	Adenosine triphosphate	ADP	Not Available	Pyridoxine Kinase	VMH; KEGG	30371894
MMDBr0008035	1-Deoxy-D-xylulose 5-phosphate	Carbon dioxide	Not Available	Pyridoxine 5-phosphate synthase	VMH	30371894
MMDBr0008036	NAD	Hydrogen Ion	Not Available	Pyridoxine 5-phosphate oxidase (anaerboic	VMH	30371894
MMDBr0013395	Oxygen	Hydrogen peroxide	Probable pyridoxamine 5'-phosphate oxidase	Oxidation	RHEA	34755880
MMDBr0013408	1-Deoxy-D-xylulose 5-phosphate	Hydrogen Ion	Pyridoxine 5'-phosphate synthase	Synthesis	RHEA	34755880
MMDBr0014516	Adenosine triphosphate	ADP	Pyridoxine/pyridoxal/pyridoxamine kinase	Phosphorylation	RHEA	34755880
MMDBr0018452	1-Deoxy-D-xylulose 5-phosphate	Hydrogen Ion	Pyridoxine 5'-phosphate synthase	Synthesis	PathBank	31602464
MMDBr0018454	Pyridoxine	Hydrogen Ion	Pyridoxine/pyridoxal/pyridoxamine kinase	Phosphorylation	PathBank	31602464
MMDBr0018455	Pyridoxine 5'-phosphate	Hydrogen peroxide	Pyridoxine/pyridoxamine 5'-phosphate oxidase	Oxidation	PathBank	31602464
MMDBr0019954	1-Deoxy-D-xylulose 5-phosphate	Hydrogen Ion	Not Available		PathBank	31602464
MMDBr0019955	Pyridoxine	Hydrogen Ion	Not Available		PathBank	31602464
MMDBr0019956	Pyridoxine 5'-phosphate	Hydrogen peroxide	Not Available		PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Obesity		Association	Human Blood	HMDB	1783639

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	497	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Cattle ; River trout ; Turkey ; Sheep ; Dog ; Lion	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	338	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Cattle ; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	155	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	118	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human supragingival plaque; Human subgingival plaque; Human gastric fluid; Human urine	Metabolic reconstruction
Bacteria	Spirochaetes	7	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Bacteria	Fusobacteria	9	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	3		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	3	Human feces; Human saliva	Unknown
Bacteria	Cyanobacteria	33	Human
Bacteria	Deinococcus-thermus	3
Bacteria	nah	1
Bacteria/NULL	Proteobacteria	2	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Cattle ; River trout ; Turkey ; Sheep ; Dog ; Lion	Unknown; Metabolic reconstruction
Bacteria	Aquificae	4
Bacteria/NULL	Aquificae	1
Bacteria	Chlorobi	10
Bacteria	Elusimicrobia	1
Bacteria	Nitrospirae	1

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
Human Feces	Detected but not Quantified									HMDB
Human Blood	Detected and Quantified	0.003		0.0	0.01	uM	Adult (>18 years old)	Female	Obesity	HMDB	1783639

External Links

HMDB ID

HMDB0001319

DrugBank ID

DB02209

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

6156

PubChem Compound

1055

PDB ID

Not Available

ChEBI ID

28803

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]

Showing metabocard for Pyridoxine 5'-phosphate (MMDBc0029617)

MOL for #<Metabolite:0x00007fa4d9441828>

3D MOL for #<Metabolite:0x00007fa4d9441828>

3D SDF for #<Metabolite:0x00007fa4d9441828>

3D-SDF for #<Metabolite:0x00007fa4d9441828>

PDB for #<Metabolite:0x00007fa4d9441828>

3D PDB for #<Metabolite:0x00007fa4d9441828>

SMILES for #<Metabolite:0x00007fa4d9441828>

INCHI for #<Metabolite:0x00007fa4d9441828>

Structure for #<Metabolite:0x00007fa4d9441828>

3D Structure for #<Metabolite:0x00007fa4d9441828>