MiMeDB: Showing metabocard for Pyridoxal 5'-phosphate (MMDBc0029660)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:36:29 UTC

Update Date

2024-09-29 14:59:15 UTC

Metabolite ID

MMDBc0029660

Metabolite Identification

Common Name

Pyridoxal 5'-phosphate

Description

Pyridoxal 5'-phosphate (PLP) is the active form of vitamin B6 serving as a coenzyme for reactions involving transamination, deamination, and decarboxylation. PLP also is necessary for the enzymatic reaction governing the release of glucose from glycogen. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (pyridoxamine). -- It is the active form of vitamin B6 which comprises three natural organic compounds, pyridoxal, pyridoxamine and pyridoxine. -- Wikipedia

Structure

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

114
  Mrv1652309042000232D          

 16 16  0  0  0  0            999 V2000
    6.3799    0.2063    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7925   -0.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.4438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  2  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  6 16  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029660

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)

> <INCHI_KEY>
NGVDGCNFYWLIFO-UHFFFAOYSA-N

> <FORMULA>
C8H10NO6P

> <MOLECULAR_WEIGHT>
247.1419

> <EXACT_MASS>
247.024573569

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
20.898887181263255

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.55

> <JCHEM_LOGP>
-2.0856087036128135

> <ALOGPS_LOGS>
-1.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.691277029499376

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.680298610655746

> <JCHEM_PKA_STRONGEST_BASIC>
4.109012435085948

> <JCHEM_POLAR_SURFACE_AREA>
116.95

> <JCHEM_REFRACTIVITY>
54.746300000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.70e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pyridoxal phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 114                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  P   UNK     0      11.909   0.385   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      10.576  -0.385   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       3.907   0.385   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      12.679  -0.949   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      13.243   1.155   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       5.241   2.695   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      11.139   1.719   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       6.574  -2.695   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       7.908  -0.385   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.574   0.385   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.242   0.385   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.241  -0.385   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.241  -1.925   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.908  -1.925   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.907  -2.695   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.574   1.925   0.000  0.00  0.00           C+0
CONECT    1    2    4    5    7                                             
CONECT    2    1   11                                                       
CONECT    3   12                                                            
CONECT    4    1                                                            
CONECT    5    1                                                            
CONECT    6   16                                                            
CONECT    7    1                                                            
CONECT    8   13   14                                                       
CONECT    9   10   11   14                                                  
CONECT   10    9   12   16                                                  
CONECT   11    2    9                                                       
CONECT   12    3   10   13                                                  
CONECT   13    8   12   15                                                  
CONECT   14    8    9                                                       
CONECT   15   13                                                            
CONECT   16    6   10                                                       
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0001491
HETATM    1  C1  UNL     1      -3.905  -1.496  -0.335  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.504  -0.954  -0.225  1.00  0.00           C  
HETATM    3  N1  UNL     1      -1.485  -1.803  -0.095  1.00  0.00           N  
HETATM    4  C3  UNL     1      -0.231  -1.333   0.004  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.077   0.014  -0.021  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.486   0.494   0.092  1.00  0.00           C  
HETATM    7  O1  UNL     1       2.302  -0.608   0.214  1.00  0.00           O  
HETATM    8  P1  UNL     1       3.924  -0.235   0.351  1.00  0.00           P  
HETATM    9  O2  UNL     1       4.217   0.086   1.809  1.00  0.00           O  
HETATM   10  O3  UNL     1       4.824  -1.605  -0.104  1.00  0.00           O  
HETATM   11  O4  UNL     1       4.386   1.060  -0.624  1.00  0.00           O  
HETATM   12  C6  UNL     1      -0.983   0.887  -0.156  1.00  0.00           C  
HETATM   13  C7  UNL     1      -0.719   2.303  -0.188  1.00  0.00           C  
HETATM   14  O5  UNL     1      -1.699   3.114  -0.313  1.00  0.00           O  
HETATM   15  C8  UNL     1      -2.258   0.392  -0.256  1.00  0.00           C  
HETATM   16  O6  UNL     1      -3.339   1.275  -0.393  1.00  0.00           O  
HETATM   17  H1  UNL     1      -4.200  -1.427  -1.410  1.00  0.00           H  
HETATM   18  H2  UNL     1      -3.897  -2.572  -0.072  1.00  0.00           H  
HETATM   19  H3  UNL     1      -4.593  -0.928   0.328  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.623  -2.006   0.112  1.00  0.00           H  
HETATM   21  H5  UNL     1       1.762   1.147  -0.760  1.00  0.00           H  
HETATM   22  H6  UNL     1       1.528   1.117   1.020  1.00  0.00           H  
HETATM   23  H7  UNL     1       4.274  -2.424   0.018  1.00  0.00           H  
HETATM   24  H8  UNL     1       4.437   1.870  -0.046  1.00  0.00           H  
HETATM   25  H9  UNL     1       0.259   2.708  -0.113  1.00  0.00           H  
HETATM   26  H10 UNL     1      -4.285   0.924  -0.468  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   14   25
CONECT   15   16
CONECT   16   26
END

Synonyms

Value	Source
3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde	ChEBI
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate	ChEBI
Codecarboxylase	ChEBI
Phosphoric acid mono-(4-formyl-5-hydroxy-6-methyl-pyridin-3-ylmethyl) ester	ChEBI
PLP	ChEBI
Pyridoxal 5'-(dihydrogen phosphate)	ChEBI
Pyridoxal 5-monophosphoric acid ester	ChEBI
Pyridoxal 5-phosphate	ChEBI
Pyridoxal phosphate	ChEBI
PYRIDOXAL-5'-phosphATE	ChEBI
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphoric acid	Generator
Phosphate mono-(4-formyl-5-hydroxy-6-methyl-pyridin-3-ylmethyl) ester	Generator
Pyridoxal 5'-(dihydrogen phosphoric acid)	Generator
Pyridoxal 5-monophosphate ester	Generator
Pyridoxal 5-phosphoric acid	Generator
Pyridoxal phosphoric acid	Generator
PYRIDOXAL-5'-phosphoric acid	Generator
Pyridoxal 5'-phosphoric acid	Generator
Apolon b6	HMDB
Biosechs	HMDB
Coenzyme b6	HMDB
Hairoxal	HMDB
Hexermin-p	HMDB
Hi-pyridoxin	HMDB
Hiadelon	HMDB
Himitan	HMDB
PAL-p	HMDB
Phosphopyridoxal	HMDB
Phosphopyridoxal coenzyme	HMDB
Pidopidon	HMDB
Piodel	HMDB
Pydoxal	HMDB
Pyridoxal p	HMDB
Pyridoxal-p	HMDB
Pyridoxyl phosphate	HMDB
Pyromijin	HMDB
Sechvitan	HMDB
Vitahexin-p	HMDB
Vitazechs	HMDB
Phosphate, pyridoxal	HMDB
Pyridoxal 5 phosphate	HMDB

Molecular Formula

C₈H₁₀NO₆P

Average Mass

247.1419

Monoisotopic Mass

247.024573569

IUPAC Name

[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid

Traditional Name

pyridoxal phosphate

CAS Registry Number

54-47-7

SMILES

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

InChI Identifier

InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)

InChI Key

NGVDGCNFYWLIFO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridoxals and derivatives. Pyridoxals and derivatives are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Pyridine carboxaldehydes

Direct Parent

Pyridoxals and derivatives

Alternative Parents

Substituents

Pyridoxal
Aryl-aldehyde
Monoalkyl phosphate
Hydroxypyridine
Methylpyridine
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Vinylogous acid
Heteroaromatic compound
Azacycle
Organopnictogen compound
Aldehyde
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

monohydroxypyridine (CHEBI:18405 )
pyridinecarbaldehyde (CHEBI:18405 )
methylpyridines (CHEBI:18405 )
vitamin B6 phosphate (CHEBI:18405 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	5.7 g/L	ALOGPS
logP	-0.55	ALOGPS
logP	-2.1	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.68	ChemAxon
pKa (Strongest Basic)	4.11	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	116.95 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	54.75 m³·mol⁻¹	ChemAxon
Polarizability	20.9 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
GC-MS	GC-MS Spectrum - GC-MS (1 MEOX; 3 TMS)	splash10-0gb9-2690000000-c9bacb7e657461e28407	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0gb9-2690000000-c9bacb7e657461e28407	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-004j-0910000000-0408f3957221fc9882cd	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0gb9-1790000000-b01115fa8b4cfd3612c7	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9520000000-bfd574b2e5355694902a	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-006t-9152000000-26c9f631195663322986	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
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0f6t-0690000000-4aa57f3f28f0bdef9dcf	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-0fxx-8900000000-ee972556340c61650528	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-014l-9100000000-3cc29fb51820adecd59c	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-0002-0090000000-9b86e80a9dd0de14ab59	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-03dj-9800000000-9313aa9cbf19bc6311c5	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-0002-9500000000-7ce120a58879e2214ce5	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-004j-9200000000-7e6bd8c298613e59fb5d	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-004i-9000000000-4c05178b1645bf01f3fa	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0udi-3920000000-6c5e6106f5658d1d6c50	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0udi-3920000000-f96097815e6922356131	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-002b-9000000000-2c4e243699a95e3a0f88	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-002b-9000000000-8aa111485891af9f0d02	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0002-0090000000-9b86e80a9dd0de14ab59	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-03dj-9800000000-9313aa9cbf19bc6311c5	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0002-9500000000-7ce120a58879e2214ce5	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004j-9200000000-7e6bd8c298613e59fb5d	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004i-9000000000-4c05178b1645bf01f3fa	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-002b-9000000000-2c4e243699a95e3a0f88	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-002b-9000000000-8aa111485891af9f0d02	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0f6t-1790000000-1dcb07cd1110c71f7005	2015-05-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-ca6aab7f31a36863a417	2015-05-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-9800000000-053802b9c0533d7943ea	2015-05-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9080000000-12ca63d34d39d59f6b42	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-144099ec201adbbc4684	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-70a9559d65e78c488e7e	2015-05-27	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Mitochondria

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Erythrocyte
Feces
Kidney
Liver
Neuron
Skeletal Muscle
Urine

Tissue Locations

Erythrocyte
Kidney
Liver
Neuron
Skeletal Muscle

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191693	5-aminolevulinate synthase, erythroid-specific, mitochondrial	Unknown	P22557	Homo sapiens
MMDBp0191698	5-aminolevulinate synthase, nonspecific, mitochondrial	Unknown	P13196	Homo sapiens
MMDBp0191723	2-amino-3-ketobutyrate coenzyme A ligase, mitochondrial	Enzyme	O75600	Homo sapiens
MMDBp0191859	Methylenetetrahydrofolate reductase	Unknown	P42898	Homo sapiens
MMDBp0191918	4-aminobutyrate aminotransferase, mitochondrial	Enzyme	P80404	Homo sapiens
MMDBp0191947	Tyrosine aminotransferase	Enzyme	P17735	Homo sapiens
MMDBp0191948	Aromatic-L-amino-acid decarboxylase	Enzyme	P20711	Homo sapiens
MMDBp0191953	Aspartate aminotransferase, cytoplasmic	Enzyme	P17174	Homo sapiens
MMDBp0191954	Aspartate aminotransferase, mitochondrial	Enzyme	P00505	Homo sapiens
MMDBp0191971	Branched-chain-amino-acid aminotransferase, cytosolic	Enzyme	P54687	Homo sapiens
MMDBp0191994	Kynureninase	Unknown	Q16719	Homo sapiens
MMDBp0191997	Glucose-6-phosphate 1-dehydrogenase	Enzyme	P11413	Homo sapiens
MMDBp0192037	Glycogen phosphorylase, liver form	Enzyme	P06737	Homo sapiens
MMDBp0192040	Glycogen phosphorylase, muscle form	Enzyme	P11217	Homo sapiens
MMDBp0192042	Glycogen phosphorylase, brain form	Enzyme	P11216	Homo sapiens
MMDBp0192045	Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial	Enzyme	Q8N5Z0	Homo sapiens
MMDBp0192063	Alanine--glyoxylate aminotransferase 2, mitochondrial	Enzyme	Q9BYV1	Homo sapiens
MMDBp0192067	Ornithine aminotransferase, mitochondrial	Enzyme	P04181	Homo sapiens
MMDBp0192123	Kynurenine--oxoglutarate transaminase 1	Enzyme	Q16773	Homo sapiens
MMDBp0192169	Branched-chain-amino-acid aminotransferase, mitochondrial	Enzyme	O15382	Homo sapiens
MMDBp0192186	Cystathionine gamma-lyase	Enzyme	P32929	Homo sapiens
MMDBp0192310	L-serine dehydratase/L-threonine deaminase	Enzyme	P20132	Homo sapiens
MMDBp0192313	Pyridoxine-5'-phosphate oxidase	Unknown	Q9NVS9	Homo sapiens
MMDBp0192325	Formimidoyltransferase-cyclodeaminase	Enzyme	O95954	Homo sapiens
MMDBp0192341	Glutamate decarboxylase 2	Enzyme	Q05329	Homo sapiens
MMDBp0192342	Glutamate decarboxylase 1	Enzyme	Q99259	Homo sapiens
MMDBp0192399	Cystathionine beta-synthase	Unknown	P35520	Homo sapiens
MMDBp0192409	Serine--pyruvate aminotransferase	Unknown	P21549	Homo sapiens
MMDBp0192412	Serine hydroxymethyltransferase, mitochondrial	Enzyme	P34897	Homo sapiens
MMDBp0192414	Serine hydroxymethyltransferase, cytosolic	Enzyme	P34896	Homo sapiens
MMDBp0192415	Glycine dehydrogenase [decarboxylating], mitochondrial	Enzyme	P23378	Homo sapiens
MMDBp0192470	Alanine aminotransferase 1	Enzyme	P24298	Homo sapiens
MMDBp0192471	Phosphoserine aminotransferase	Enzyme	Q9Y617	Homo sapiens
MMDBp0192503	Histidine decarboxylase	Enzyme	P19113	Homo sapiens
MMDBp0192504	Serine palmitoyltransferase 1	Enzyme	O15269	Homo sapiens
MMDBp0192506	Serine palmitoyltransferase 2	Enzyme	O15270	Homo sapiens
MMDBp0192554	Cysteine sulfinic acid decarboxylase	Enzyme	Q9Y600	Homo sapiens
MMDBp0192645	Ornithine decarboxylase	Enzyme	P11926	Homo sapiens
MMDBp0192661	Sphingosine-1-phosphate lyase 1	Enzyme	O95470	Homo sapiens
MMDBp0192664	Pyridoxal kinase	Unknown	O00764	Homo sapiens
MMDBp0193463	Arginine decarboxylase	Enzyme	Q96A70	Homo sapiens
MMDBp0193473	Phosphatidylserine decarboxylase proenzyme	Enzyme	Q9UG56	Homo sapiens
MMDBp0193562	Cysteine desulfurase, mitochondrial	Unknown	Q9Y697	Homo sapiens
MMDBp0193773	Proline synthase co-transcribed bacterial homolog protein	Enzyme	O94903	Homo sapiens
MMDBp0193784	Aminoadipate aminotransferase, isoform CRA_b	Enzyme	Q4W5N8	Homo sapiens
MMDBp0193905	Threonine synthase-like 1	Enzyme	Q8IYQ7	Homo sapiens
MMDBp0193917	Ethanolamine-phosphate phospho-lyase	Enzyme	Q8TBG4	Homo sapiens
MMDBp0193926	Alanine aminotransferase 2	Enzyme	Q8TD30	Homo sapiens
MMDBp0193940	Pyridoxal phosphate phosphatase	Unknown	Q96GD0	Homo sapiens
MMDBp0193983	Selenocysteine lyase	Enzyme	Q96I15	Homo sapiens
MMDBp0195556	Pyridoxal phosphate phosphatase PHOSPHO2	Unknown	Q8TCD6	Homo sapiens
MMDBp0195723	Putative aspartate aminotransferase, cytoplasmic 2	Enzyme	Q8NHS2	Homo sapiens
MMDBp0195724	5-phosphohydroxy-L-lysine phospho-lyase	Enzyme	Q8IUZ5	Homo sapiens
MMDBp0195725	Glutamate decarboxylase-like protein 1	Enzyme	Q6ZQY3	Homo sapiens
MMDBp0195726	Kynurenine--oxoglutarate transaminase 3	Enzyme	Q6YP21	Homo sapiens
MMDBp0195727	Molybdenum cofactor sulfurase	Enzyme	Q96EN8	Homo sapiens
MMDBp0195728	Pyridoxal-dependent decarboxylase domain-containing protein 1	Enzyme	Q6P996	Homo sapiens
MMDBp0195729	Pyridoxal-dependent decarboxylase domain-containing protein 2	Enzyme	Q6P474	Homo sapiens
MMDBp0195730	Serine dehydratase-like	Enzyme	Q96GA7	Homo sapiens
MMDBp0195731	O-phosphoseryl-tRNA(Sec) selenium transferase	Enzyme	Q9HD40	Homo sapiens
MMDBp0195732	Serine palmitoyltransferase 3	Enzyme	Q9NUV7	Homo sapiens
MMDBp0195733	Serine racemase	Enzyme	Q9GZT4	Homo sapiens
MMDBp0195734	Threonine synthase-like 2	Enzyme	Q86YJ6	Homo sapiens
MMDBp0195735	Tyrosine aminotransferase	Enzyme	A1L4G7	Homo sapiens
MMDBp0195736	Serine hydroxymethyltransferase	Enzyme	A8MYA6	Homo sapiens
MMDBp0195737	Aspartate aminotransferase	Enzyme	Q2TU84	Homo sapiens
MMDBp0195738	GAD1 protein	Enzyme	Q49AK1	Homo sapiens
MMDBp0195739	Serine hydroxymethyltransferase	Enzyme	Q53ET4	Homo sapiens
MMDBp0195740	Serine hydroxymethyltransferase	Enzyme	Q53ET7	Homo sapiens
MMDBp0195741	Dopa decarboxylase (Aromatic L-amino acid decarboxylase)	Enzyme	Q53Y41	Homo sapiens
MMDBp0195742	Phosphorylase	Enzyme	Q59GM9	Homo sapiens
MMDBp0195743	Serine hydroxymethyltransferase	Enzyme	Q5BJF5	Homo sapiens
MMDBp0195744	Serine hydroxymethyltransferase	Enzyme	Q5HYG8	Homo sapiens
MMDBp0195745	Aminolevulinate, delta-, synthase 1, isoform CRA_a	Enzyme	Q5JAM2	Homo sapiens
MMDBp0195746	Aminolevulinate, delta-, synthase 2	Enzyme	Q5JZF5	Homo sapiens
MMDBp0195747	Glutamate decarboxylase 2 (Pancreatic islets and brain, 65kDa)	Enzyme	Q5VZ29	Homo sapiens
MMDBp0195748	Glutamate decarboxylase 2 (Pancreatic islets and brain, 65kDa)	Enzyme	Q5VZ30	Homo sapiens
MMDBp0195749	Putative L-Dopa decarboxylase	Enzyme	Q5W5T9	Homo sapiens
MMDBp0195750	DDC protein	Enzyme	Q6IBS8	Homo sapiens
MMDBp0195751	CSAD protein	Enzyme	Q86V02	Homo sapiens
MMDBp0195752	PDXDC1 protein	Enzyme	Q86XE2	Homo sapiens
MMDBp0195753	Glutamate decarboxylase 1 (Brain, 67kDa)	Enzyme	Q8IVA8	Homo sapiens
MMDBp0195754	Aminolevulinate, delta-, synthase 2	Enzyme	Q8N6H3	Homo sapiens
MMDBp0195755	Phosphorylase	Enzyme	Q8TDG6	Homo sapiens
MMDBp0195756	P-selectin cytoplasmic tail-associated protein (PCAP)	Enzyme	Q96JQ3	Homo sapiens
MMDBp0195757	Glutamic acid decarboxylase	Enzyme	Q9UGI5	Homo sapiens
MMDBp0195758	Cysteine sulfinic acid decarboxylase, isoform CRA_c	Enzyme	Q9Y602	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0001903	Pyridoxine 5'-phosphate	Hydrogen peroxide	Not Available	VMH	15182361 6380540
MMDBr0002037	Pyridoxamine 5'-phosphate	Hydrogen peroxide	Not Available	VMH	6380540
MMDBr0002041	Pyridoxal	Pyridoxal 5'-phosphate	Not Available	VMH; KEGG	30371894
MMDBr0002042	Pyridoxal 5'-phosphate	Pyridoxal	pyridoxal (pyridoxine, vitamin B6) phosphatase	VMH; KEGG	30371894
MMDBr0002107	Pyridoxine 5'-phosphate	L-Alanine	selenocysteine lyase	VMH	1483038
MMDBr0007529	Glyceraldehyde 3-phosphate	L-Glutamic acid	Not Available	VMH	30371894
MMDBr0008036	Pyridoxine 5'-phosphate	Pyridoxal 5'-phosphate	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Celiac disease	Slight Increase	Association	Human Cerebrospinal Fluid (CSF)	HMDB	6182788
Hypophosphatasia	Increased	Association	Human Blood	HMDB	2079838
Rheumatoid arthritis		Association	Human Blood	HMDB	16277678

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	464	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; Turkey ; Cattle ; Chicken ; River trout ; Sheep ; Dog	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	468	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool; Catfish	Metabolic reconstruction
Bacteria	Actinobacteria	178	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	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	133	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human supragingival plaque; Human subgingival plaque; Human gastric fluid; Human urine	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	9	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	6		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	6	Human feces; Human saliva	Unknown
Bacteria	Deinococcus-thermus	5
Bacteria	Cyanobacteria	12	Human
Bacteria	nah	1
Archaea/Archaea	Crenarchaeota	20		Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	36		Metabolic reconstruction
Bacteria	Chloroflexi	9
Bacteria	Dictyoglomi	2
Bacteria	Chlamydiae	1	Human
Bacteria	Thermotogae	9
Archaea/Archaea	Thaumarchaeota	2		Metabolic reconstruction
Archaea/Archaea	Korarchaeota	1
Bacteria	Acidobacteria	2

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Lota lota	FooDB	Manually Annotated
Animal		Porphyra umbilicalis	FooDB	Manually Annotated
Animal		Chondrus crispus	FooDB	Manually Annotated
Animal		Laminaria	FooDB	Manually Annotated
Animal	Milk	Bos taurus	FooDB	1453218
Animal		Haliotis	FooDB	Manually Annotated
Animal		Strombidae	FooDB	Manually Annotated
Animal		Clupea harengus harengus	FooDB	Manually Annotated
Animal		Undaria pinnatifida	FooDB	Manually Annotated
Animal		Peprilus triacanthus	FooDB	Manually Annotated
Animal		Rhodophyta	FooDB	Manually Annotated
Animal		Myoxocephalus	FooDB	Manually Annotated
Animal		Eucheuma	FooDB	Manually Annotated
Animal		Saccharina japonica	FooDB	Manually Annotated
Animal		Spirulina	FooDB	Manually Annotated
Plant		Cichorium endivia	FooDB	Manually Annotated
Plant		Apium graveolens	FooDB	Manually Annotated
Plant		Elaeis	FooDB	Manually Annotated
Plant		Cinnamomum	FooDB	Manually Annotated
Plant		Ribes uva-crispa	FooDB	Manually Annotated
Plant		Feijoa sellowiana	FooDB	Manually Annotated
Plant		Dysphania ambrosioides	FooDB	Manually Annotated
Plant		Raphanus sativus var. niger	FooDB	Manually Annotated
Plant		Photinia melanocarpa	FooDB	Manually Annotated
Plant		Salvia officinalis	FooDB	Manually Annotated
Plant		Rheum rhabarbarum	FooDB	Manually Annotated
Plant		Vaccinium	FooDB	Manually Annotated
Plant		Lablab purpureus	FooDB	Manually Annotated
Plant		Crocus sativus	FooDB	Manually Annotated
Plant		Citrus maxima	FooDB	Manually Annotated
Plant		Syzygium jambos	FooDB	Manually Annotated
Plant		Salix pulchra	FooDB	Manually Annotated
Plant		Castanea sativa	FooDB	Manually Annotated
Plant		Cydonia oblonga	FooDB	Manually Annotated
Plant		Annona muricata	FooDB	Manually Annotated
Plant		Fagus	FooDB	Manually Annotated
Plant		Cucurbita	FooDB	Manually Annotated
Plant		Opuntia cochenillifera	FooDB	Manually Annotated
Plant		Vaccinium ovatum	FooDB	Manually Annotated
Plant		Cocos nucifera	FooDB	Manually Annotated
Plant		Phaseolus coccineus	FooDB	Manually Annotated
Plant		Thymus pulegioides	FooDB	Manually Annotated
Plant		Tamarindus indica	FooDB	Manually Annotated
Plant		Mespilus germanica	FooDB	Manually Annotated
Plant		Brassica rapa var. perviridis	FooDB	Manually Annotated
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant		Mentha aquatica	FooDB	Manually Annotated
Plant		Salvia elegans	FooDB	Manually Annotated
Plant		Mentha	FooDB	Manually Annotated
Plant		Sagittaria latifolia	FooDB	Manually Annotated
Plant		Solanum tuberosum	FooDB	Manually Annotated
Plant		Olea europaea	FooDB	Manually Annotated
Plant		Sambucus	FooDB	Manually Annotated
Plant		Pinus	FooDB	Manually Annotated
Plant		Psidium guajava	FooDB	Manually Annotated
Plant		Syzygium cumini	FooDB	Manually Annotated
Plant		Tilia tomentosa	FooDB	Manually Annotated
Plant		Typha angustifolia	FooDB	Manually Annotated
Plant		Daucus carota	FooDB	Manually Annotated
Plant		Empetrum nigrum	FooDB	Manually Annotated
Plant		Valerianella locusta	FooDB	Manually Annotated
Plant		Myrica rubra	FooDB	Manually Annotated
Plant		Vaccinium vitis-idaea	FooDB	Manually Annotated
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	Manually Annotated
Plant		Sisymbrium	FooDB	Manually Annotated
Plant		Vanilla	FooDB	Manually Annotated
Plant		Carya	FooDB	Manually Annotated
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	Manually Annotated
Plant		Physalis philadelphica var. immaculata	FooDB	Manually Annotated
Plant		Vigna radiata	FooDB	Manually Annotated
Plant		Borago officinalis	FooDB	Manually Annotated
Plant		Raphanus sativus	FooDB	Manually Annotated
Plant		Prunus dulcis	FooDB	Manually Annotated
Plant		Hyssopus officinalis	FooDB	Manually Annotated
Plant		Manihot esculenta	FooDB	Manually Annotated
Plant		Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant		Scorzonera hispanica	FooDB	Manually Annotated
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	Manually Annotated
Plant		Angelica keiskei	FooDB	Manually Annotated
Plant		Ipomoea aquatica	FooDB	Manually Annotated
Plant		Musa x paradisiaca	FooDB	Manually Annotated
Plant		Cuminum cyminum	FooDB	Manually Annotated
Plant		Rubus spectabilis	FooDB	Manually Annotated
Plant		Allium sativum	FooDB	Manually Annotated
Plant		Arachis hypogaea	FooDB	Manually Annotated
Plant		Rubus idaeus	FooDB	Manually Annotated
Plant		Cantharellus cibarius	FooDB	Manually Annotated
Plant		Sinapis alba	FooDB	Manually Annotated
Plant		Fragaria x ananassa	FooDB	Manually Annotated
Plant		Pyrus communis	FooDB	Manually Annotated
Plant		Brassica ruvo	FooDB	Manually Annotated
Plant		Apium graveolens var. secalinum	FooDB	Manually Annotated
Plant		Morus nigra	FooDB	Manually Annotated
Plant		Solanum lycopersicum	FooDB	Manually Annotated
Plant		Abelmoschus esculentus	FooDB	Manually Annotated
Plant		Moringa oleifera	FooDB	Manually Annotated
Plant		Pinus edulis	FooDB	Manually Annotated
Plant		Passiflora edulis	FooDB	Manually Annotated
Plant		Opuntia macrorhiza	FooDB	Manually Annotated
Plant		Vigna angularis	FooDB	Manually Annotated
Plant		Manilkara zapota	FooDB	Manually Annotated
Plant		Cucurbita pepo var. clypeata	FooDB	Manually Annotated
Plant		Helianthus annuus	FooDB	Manually Annotated
Plant		Mentha spicata	FooDB	Manually Annotated
Plant		Corylus	FooDB	Manually Annotated
Plant		Malus	FooDB	Manually Annotated
Plant		Pisum sativum	FooDB	Manually Annotated
Plant		Sambucus nigra	FooDB	Manually Annotated
Plant		Allium cepa	FooDB	Manually Annotated
Plant		Juglans	FooDB	Manually Annotated
Plant		Mangifera indica	FooDB	Manually Annotated
Plant		Petroselinum crispum	FooDB	Manually Annotated
Plant		Ribes nigrum	FooDB	Manually Annotated
Plant		Zingiber officinale	FooDB	Manually Annotated
Plant		Chamaemelum nobile	FooDB	Manually Annotated
Plant		Illicium verum	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Laurus nobilis	FooDB	Manually Annotated
Plant		Auricularia auricula-judae	FooDB	Manually Annotated
Plant		Attalea speciosa	FooDB	Manually Annotated
Plant		Juglans ailanthifolia	FooDB	Manually Annotated
Plant		Melissa officinalis	FooDB	Manually Annotated
Plant		Hippophae rhamnoides	FooDB	Manually Annotated
Plant		Polygonum alpinum	FooDB	Manually Annotated
Plant		Brassica juncea	FooDB	Manually Annotated
Plant		Pediomelum esculentum	FooDB	Manually Annotated
Plant		Spinacia oleracea	FooDB	Manually Annotated
Plant		Auricularia polytricha	FooDB	Manually Annotated
Plant		Camellia oleifera	FooDB	Manually Annotated
Plant		Vaccinium corymbosum	FooDB	Manually Annotated
Plant		Chrysanthemum coronarium	FooDB	Manually Annotated
Plant		Eleocharis dulcis	FooDB	Manually Annotated
Plant		Thymus vulgaris	FooDB	Manually Annotated
Plant		Actinidia chinensis	FooDB	Manually Annotated
Plant		Carica papaya	FooDB	Manually Annotated
Plant		Pimenta dioica	FooDB	Manually Annotated
Plant		Medicago sativa	FooDB	Manually Annotated
Plant		Vigna mungo	FooDB	Manually Annotated
Plant		Rubus arcticus	FooDB	Manually Annotated
Plant		Agaricus bisporus	FooDB	Manually Annotated
Plant		Cajanus cajan	FooDB	Manually Annotated
Plant		Rumex articus	FooDB	Manually Annotated
Plant		Origanum majorana	FooDB	Manually Annotated
Plant		Armoracia rusticana	FooDB	Manually Annotated
Plant		Hibiscus sabdariffa	FooDB	Manually Annotated
Plant		Benincasa hispida	FooDB	Manually Annotated
Plant		Prunus persica	FooDB	Manually Annotated
Plant		Canarium ovatum	FooDB	Manually Annotated
Plant		Ribes aureum var. villosum	FooDB	Manually Annotated
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant		Brassica oleracea var. gemmifera	FooDB	Manually Annotated
Plant		Foeniculum vulgare	FooDB	Manually Annotated
Plant		Phoenix dactylifera	FooDB	Manually Annotated
Plant		Vaccinium macrocarpon	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Arctium lappa	FooDB	Manually Annotated
Plant		Brassica oleracea var. gongylodes	FooDB	Manually Annotated
Plant		Juglans cinerea	FooDB	Manually Annotated
Plant		Prunus cerasus	FooDB	Manually Annotated
Plant		Eruca vesicaria ssp. sativa	FooDB	Manually Annotated
Plant		Rosmarinus officinalis	FooDB	Manually Annotated
Plant		Artocarpus altilis	FooDB	Manually Annotated
Plant		Citrus x paradisi	FooDB	Manually Annotated
Plant		Vigna unguiculata	FooDB	Manually Annotated
Plant		Cynara scolymus	FooDB	Manually Annotated
Plant		Cyathea	FooDB	Manually Annotated
Plant		Metroxylon sagu	FooDB	Manually Annotated
Plant		Vitis rotundifolia	FooDB	Manually Annotated
Plant		Brosimum alicastrum	FooDB	Manually Annotated
Plant		Ficus carica	FooDB	Manually Annotated
Plant		Lentinus edodes	FooDB	Manually Annotated
Plant		Psidium cattleianum	FooDB	Manually Annotated
Plant		Beta vulgaris var. rubra	FooDB	Manually Annotated
Plant		Castanea mollissima	FooDB	Manually Annotated
Plant		Lepidium sativum	FooDB	Manually Annotated
Plant		Morus	FooDB	Manually Annotated
Plant		Helianthus tuberosus	FooDB	Manually Annotated
Plant		Phytolacca americana	FooDB	Manually Annotated
Plant		Grifola frondosa	FooDB	Manually Annotated
Plant		Vitis labrusca	FooDB	Manually Annotated
Plant		Tetragonia tetragonioides	FooDB	Manually Annotated
Plant		Artemisia vulgaris	FooDB	Manually Annotated
Plant		Cucumis metuliferus	FooDB	Manually Annotated
Plant		Nephelium lappaceum	FooDB	Manually Annotated
Plant		Myrica	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Corylus avellana	FooDB	Manually Annotated
Plant		Castanea crenata	FooDB	Manually Annotated
Plant		Litchi chinensis	FooDB	Manually Annotated
Plant		Juglans regia	FooDB	Manually Annotated
Plant		Quercus	FooDB	Manually Annotated
Plant		Trigonella foenum-graecum	FooDB	Manually Annotated
Plant		Vaccinium angustifolium	FooDB	Manually Annotated
Plant		Malpighia emarginata	FooDB	Manually Annotated
Plant		Physalis	FooDB	Manually Annotated
Plant		Brassica oleracea var. sabauda	FooDB	Manually Annotated
Plant		Thelesperma	FooDB	Manually Annotated
Plant		Brassica napus	FooDB	Manually Annotated
Plant		Asparagus officinalis	FooDB	Manually Annotated
Plant		Chamerion angustifolium	FooDB	Manually Annotated
Plant		Levisticum officinale	FooDB	Manually Annotated
Plant		Pimpinella anisum	FooDB	Manually Annotated
Plant		Vaccinium elliottii	FooDB	Manually Annotated
Plant		Artemisia dracunculus	FooDB	Manually Annotated
Plant		Matricaria recutita	FooDB	Manually Annotated
Plant		Citrus aurantiifolia	FooDB	Manually Annotated
Plant		Ziziphus zizyphus	FooDB	Manually Annotated
Plant		Lactuca sativa	FooDB	Manually Annotated
Plant		Dimocarpus longan	FooDB	Manually Annotated
Plant		Eragrostis tef	FooDB	Manually Annotated
Plant		Salvia hispanica	FooDB	Manually Annotated
Plant		Pistacia vera	FooDB	Manually Annotated
Plant		Cynara cardunculus	FooDB	Manually Annotated
Plant		Vitellaria paradoxa	FooDB	Manually Annotated
Plant		Pangium edule	FooDB	Manually Annotated
Plant		Malus pumila	FooDB	Manually Annotated
Plant		Allium	FooDB	Manually Annotated
Plant		Brassica oleracea var. viridis	FooDB	Manually Annotated
Plant		Punica granatum	FooDB	Manually Annotated
Plant		Agave	FooDB	Manually Annotated
Plant		Hedysarum alpinum	FooDB	Manually Annotated
Plant		Diospyros	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Vigna aconitifolia	FooDB	Manually Annotated
Plant		Amaranthus	FooDB	Manually Annotated
Plant		Gossypium	FooDB	Manually Annotated
Plant		Beta vulgaris	FooDB	Manually Annotated
Plant		Mammea americana	FooDB	Manually Annotated
Plant		Brassica alboglabra	FooDB	Manually Annotated
Plant		Annona squamosa	FooDB	Manually Annotated
Plant		Apium graveolens var. dulce	FooDB	Manually Annotated
Plant		Vitis	FooDB	Manually Annotated
Plant		Xanthosoma sagittifolium	FooDB	Manually Annotated
Plant		Basella alba	FooDB	Manually Annotated
Plant		Cucumis sativus	FooDB	Manually Annotated
Plant		Citrus latifolia	FooDB	Manually Annotated
Plant		Carya illinoinensis	FooDB	Manually Annotated
Plant		Capsicum baccatum var. baccatum	FooDB	Manually Annotated
Plant		Byrsonima crassifolia	FooDB	Manually Annotated
Plant		Capsicum pubescens	FooDB	Manually Annotated
Plant		Cinnamomum aromaticum	FooDB	Manually Annotated
Plant		Ribes rubrum	FooDB	Manually Annotated
Plant		Crateva religiosa	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Vitis aestivalis	FooDB	Manually Annotated
Plant		Brassica rapa var. chinensis	FooDB	Manually Annotated
Plant		Eugenia javanica	FooDB	Manually Annotated
Plant		Portulaca oleracea	FooDB	Manually Annotated
Plant		Ipomoea batatas	FooDB	Manually Annotated
Plant		Mentha arvensis	FooDB	Manually Annotated
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant		Cucurbita maxima	FooDB	Manually Annotated
Plant		Vaccinium stamineum	FooDB	Manually Annotated
Plant		Solanum lycopersicum var. cerasiforme	FooDB	Manually Annotated
Plant		Chenopodium album	FooDB	Manually Annotated
Plant		Psophocarpus tetragonolobus	FooDB	Manually Annotated
Plant		Allium ampeloprasum	FooDB	Manually Annotated
Plant		Brassica oleracea	FooDB	Manually Annotated
Plant		Sechium edule	FooDB	Manually Annotated
Plant		Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant		Grataegosorbus mitschurinii	FooDB	Manually Annotated
Plant		Diospyros virginiana	FooDB	Manually Annotated
Plant		Origanum x majoricum	FooDB	Manually Annotated
Plant		Rubus x loganobaccus	FooDB	Manually Annotated
Plant		Tragopogon porrifolius	FooDB	Manually Annotated
Plant		Taraxacum officinale	FooDB	Manually Annotated
Plant		Rumex	FooDB	Manually Annotated
Plant		Allium ascalonicum	FooDB	Manually Annotated
Plant		Curcuma longa	FooDB	Manually Annotated
Plant		Rubus chamaemorus	FooDB	Manually Annotated
Plant		Elettaria cardamomum	FooDB	Manually Annotated
Plant		Citrullus lanatus var. fistulosus	FooDB	Manually Annotated
Plant		Ananas comosus	FooDB	Manually Annotated
Plant		Persea americana	FooDB	Manually Annotated
Plant		Amelanchier alnifolia	FooDB	Manually Annotated
Plant		Eugenia uniflora	FooDB	Manually Annotated
Plant		Annona reticulata	FooDB	Manually Annotated
Plant		Cichorium intybus	FooDB	Manually Annotated
Plant		Sesbania bispinosa	FooDB	Manually Annotated
Plant		Chenopodium quinoa	FooDB	Manually Annotated
Plant		Brassica oleracea var. botrytis	FooDB	Manually Annotated
Plant		Ribes x nidigrolaria	FooDB	Manually Annotated
Plant		Garcinia mangostana	FooDB	Manually Annotated
Plant		Cucumis melo	FooDB	Manually Annotated
Plant		Dioscorea pentaphylla	FooDB	Manually Annotated
Plant		Corchorus olitorius	FooDB	Manually Annotated
Plant		Juglans nigra	FooDB	Manually Annotated
Plant		Lathyrus sativus	FooDB	Manually Annotated
Plant		Allium tuberosum	FooDB	Manually Annotated
Plant		Cinnamomum verum	FooDB	Manually Annotated
Plant		Glycine max	FooDB	Manually Annotated
Plant		Gaylussacia baccata	FooDB	Manually Annotated
Plant		Petasites japonicus	FooDB	Manually Annotated
Plant		Prunus tomentosa	FooDB	Manually Annotated
Plant		Ocimum basilicum	FooDB	Manually Annotated
Plant		Mentha x piperita	FooDB	Manually Annotated
Plant		Maranta arundinacea	FooDB	Manually Annotated
Plant		Matteuccia struthiopteris	FooDB	Manually Annotated
Plant		Cucurbita moschata	FooDB	Manually Annotated
Plant		Macadamia	FooDB	Manually Annotated
Plant		Tilia	FooDB	Manually Annotated
Plant		Citrus limon	FooDB	Manually Annotated
Plant		Vaccinium myrtilloides	FooDB	Manually Annotated
Plant		Capsicum annuum var. annuum	FooDB	Manually Annotated
Plant		Apium graveolens var. rapaceum	FooDB	Manually Annotated
Plant		Papaver	FooDB	Manually Annotated
Plant		Rosa	FooDB	Manually Annotated
Plant		Nelumbo	FooDB	Manually Annotated
Plant		Brassica oleracea var. conica	FooDB	Manually Annotated
Plant		Sesamum orientale	FooDB	Manually Annotated
Plant		Annona cherimola	FooDB	Manually Annotated
Plant		Brassica rapa var. pekinensis	FooDB	Manually Annotated
Plant		Brassica rapa	FooDB	Manually Annotated
Plant		Lippia graveolens	FooDB	Manually Annotated
Plant		Prunus	FooDB	Manually Annotated
Plant		Capparis spinosa	FooDB	Manually Annotated
Plant		Citrus sinensis	FooDB	Manually Annotated
Plant		Lens culinaris	FooDB	Manually Annotated
Plant		Vaccinium deliciosum	FooDB	Manually Annotated
Plant		Phaseolus lunatus	FooDB	Manually Annotated
Plant		Artocarpus heterophyllus	FooDB	Manually Annotated
Plant		Prunus virginiana	FooDB	Manually Annotated
Plant		Musa acuminata	FooDB	Manually Annotated
Plant		Citrullus lanatus	FooDB	Manually Annotated
Plant		Linum usitatissimum	FooDB	Manually Annotated
Plant		Vigna unguiculata ssp. unguiculata	FooDB	Manually Annotated
Plant		Macadamia tetraphylla	FooDB	Manually Annotated
Plant		Phyllostachys edulis	FooDB	Manually Annotated
Plant		Lagenaria siceraria	FooDB	Manually Annotated
Plant		Prunus domestica	FooDB	Manually Annotated
Plant		Prunus armeniaca	FooDB	Manually Annotated
Plant		Carum carvi	FooDB	Manually Annotated
Plant		Allium schoenoprasum	FooDB	Manually Annotated
Plant		Carissa macrocarpa	FooDB	Manually Annotated
Plant		Citrus reticulata	FooDB	Manually Annotated
Plant		Satureja hortensis	FooDB	Manually Annotated
Plant		Averrhoa carambola	FooDB	Manually Annotated
Plant		Brassica rapa var. rapa	FooDB	Manually Annotated
Plant		Sorbus aucuparia	FooDB	Manually Annotated
Plant		Anethum graveolens	FooDB	Manually Annotated
Plant		Nelumbo nucifera	FooDB	Manually Annotated
Plant		Coriandrum sativum	FooDB	Manually Annotated
Plant		Bertholletia excelsa	FooDB	Manually Annotated
Plant		Brassica oleracea var. costata	FooDB	Manually Annotated
Plant		Panax	FooDB	Manually Annotated
Plant		Ceratonia siliqua	FooDB	Manually Annotated
Plant		Cymbopogon citratus	FooDB	Manually Annotated
Plant		Luffa aegyptiaca	FooDB	Manually Annotated
Plant		Anacardium occidentale	FooDB	Manually Annotated
Plant		Carthamus tinctorius	FooDB	Manually Annotated
Plant		Rubus occidentalis	FooDB	Manually Annotated
Plant		Vigna umbellata	FooDB	Manually Annotated
Plant		Cicer arietinum	FooDB	Manually Annotated
Plant		Allium fistulosum	FooDB	Manually Annotated
Plant		Capsicum	FooDB	Manually Annotated
Plant		Vaccinium alaskaense	FooDB	Manually Annotated
Plant		Lupinus	FooDB	Manually Annotated
Plant		Tilia cordata	FooDB	Manually Annotated
Plant		Camellia sinensis	FooDB	Manually Annotated
Plant		Prunus persica var. nucipersica	FooDB	Manually Annotated
Plant		Durio zibethinus	FooDB	Manually Annotated
Plant		Eriobotrya japonica	FooDB	Manually Annotated
Plant		Solanum lycopersicum var. lycopersicum	FooDB	Manually Annotated
Plant		Brassica napus var. pabularia	FooDB	Manually Annotated
Plant		Oenothera biennis	FooDB	Manually Annotated
Plant		Diospyros kaki	FooDB	Manually Annotated
Plant		Ribes glandulosum	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant		Theobroma cacao	FooDB	Manually Annotated
Plant		Virola surinamensis	FooDB	Manually Annotated
Plant		Verbena officinalis	FooDB	Manually Annotated
Plant		Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant		Vaccinium oxycoccos	FooDB	Manually Annotated
Plant		Rumex acetosa	FooDB	Manually Annotated
Plant		Syzygium aromaticum	FooDB	Manually Annotated
Plant		Pyrus pyrifolia	FooDB	Manually Annotated
Plant		Vaccinium myrtillus	FooDB	Manually Annotated
Plant		Vaccinium parvifolium	FooDB	Manually Annotated
Plant		Aloysia triphylla	FooDB	Manually Annotated
Plant		Brassica oleracea var. capitata	FooDB	Manually Annotated
Plant		Capsicum chinense	FooDB	Manually Annotated
Plant		Vicia faba	FooDB	Manually Annotated
Plant		Vaccinium reticulatum	FooDB	Manually Annotated
Plant		Solanum quitoense	FooDB	Manually Annotated
Plant		Ginkgo biloba	FooDB	Manually Annotated
Plant		Theobroma grandiflorum	FooDB	Manually Annotated
Plant		Vigna unguiculata ssp. cylindrica	FooDB	Manually Annotated
Plant		Flammulina velutipes	FooDB	Manually Annotated
Plant		Satureja montana	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Vitis vinifera	FooDB	Manually Annotated
Plant		Citrus japonica	FooDB	Manually Annotated
Plant		Prunus avium	FooDB	Manually Annotated
Plant		Perideridia oregana	FooDB	Manually Annotated
Plant		Vaccinium arboreum	FooDB	Manually Annotated
Plant		Pouteria sapota	FooDB	Manually Annotated
Plant		Wasabia japonica	FooDB	Manually Annotated
Plant		Piper nigrum	FooDB	Manually Annotated
Plant		Origanum onites	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Origanum vulgare	FooDB	Manually Annotated
Plant		Viburnum edule	FooDB	Manually Annotated
Plant		Dioscorea	FooDB	Manually Annotated
Plant		Brassica oleracea var. italica	FooDB	Manually Annotated
Plant		Momordica charantia	FooDB	Manually Annotated
Plant		Vaccinium uliginosum	FooDB	Manually Annotated
Plant		Castanea	FooDB	Manually Annotated
Plant		Rubus ursinus x idaeus	FooDB	Manually Annotated
Plant		Pleurotus ostreatus	FooDB	Manually Annotated
Plant		Cirsium	FooDB	Manually Annotated
Plant		Solanum melongena	FooDB	Manually Annotated
Plant		Opuntia	FooDB	Manually Annotated
Plant		Raphanus sativus var. sativus	FooDB	Manually Annotated
Plant		Colocasia esculenta	FooDB	Manually Annotated
Plant		Prunus persica var. persica	FooDB	Manually Annotated
Plant		Anthriscus cerefolium	FooDB	Manually Annotated
Plant		Nuphar lutea	FooDB	Manually Annotated
Plant		Lupinus albus	FooDB	Manually Annotated
Plant		Myristica fragrans	FooDB	Manually Annotated
Plant		Pachyrhizus erosus	FooDB	Manually Annotated

Source Type	Activity	Data Source	Reference
General Exposome	Not Available	U.S. Environmental Protection Agency	CompTox
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox

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 Cerebrospinal fluid (csf)	Detected and Quantified	0.00243	0.00138			uM	Adult (>18 years old)	Not Specified	celiac disease	HMDB	6182788
Human Cerebrospinal fluid (csf)	Detected and Quantified			0.00500	0.00600	uM	Children (1-13 years old)	Female	Epilepsy, early-onset, vitamin B6-dependent	HMDB	27912044
Human Blood	Detected and Quantified	0.251		0.0310	1.182	uM	Adult (>18 years old)	Both	Hypophosphatasia, infantile	HMDB	2079838
Human Blood	Detected and Quantified	1.59				uM	Children (1-13 years old)	Female	Odontohypophosphatasia	HMDB	23093139
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0036				uM	Newborn (0-30 days old)	Not Specified	PNPO deficiency	HMDB	18294893
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.012				uM	Newborn (0-30 days old)	Not Specified	PNPO deficiency	HMDB	18294893
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.014				uM	Newborn (0-30 days old)	Not Specified	PNPO deficiency	HMDB	18294893
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.018				uM	Newborn (0-30 days old)	Not Specified	PNPO deficiency	HMDB	18294893
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0119		0.0036	0.018	uM	Newborn (0-30 days old)	Not Specified	PNPO deficiency	HMDB	18294893
Human Blood	Detected and Quantified	0.024		0.019	0.031	uM	Adult (>18 years old)	Both	Rheumatoid arthritis	HMDB	16277678
Human Blood	Detected and Quantified	0.03				uM	Adult (>18 years old)	Female	Normal	HMDB	18230968
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.000972	0.000283			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	6182788
Human Blood	Detected and Quantified	0.0047	0.00072			uM	Adult (>18 years old)	Both	Normal	HMDB	1783639
Human Cerebrospinal fluid (csf)	Detected and Quantified			0.0110	0.0340	uM	Children (1-13 years old)	Not Specified	Normal	HMDB	27912044
Human Blood	Detected and Quantified			0.0146	0.0728	uM	Children (1-13 years old)	Not Specified	Normal	HMDB	23093139
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0207	0.0069			uM	Children (1-13 years old)	Not Specified	Normal	HMDB	18294893
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0305	0.0111			uM	Children (1-13 years old)	Not Specified	Normal	HMDB	18294893
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0312	0.0049			uM	Children (1-13 years old)	Not Specified	Normal	HMDB	18294893
Human Cerebrospinal fluid (csf)	Detected and Quantified			0.032	0.078	uM	Children (1-13 years old)	Not Specified	Normal	HMDB	18294893
Human Blood	Detected and Quantified	0.042		0.0076	1.26	uM	Adult (>18 years old)	Both	Normal	HMDB	15450810
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0431	0.0193			uM	Infant (0-1 year old)	Not Specified	Normal	HMDB	18294893
Human Cerebrospinal fluid (csf)	Detected and Quantified			0.044	0.089	uM	Children (1-13 years old)	Not Specified	Normal	HMDB	18294893
Human Blood	Detected and Quantified	0.0451		0.00400	0.207	uM	Adult (>18 years old)	Both	Normal	HMDB	2079838
Human Blood	Detected and Quantified	0.046		0.035	0.06	uM	Adult (>18 years old)	Both	Normal	HMDB	16277678
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0515	0.0166			uM	Newborn (0-30 days old)	Not Specified	Normal	HMDB	18294893
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0531	0.0186			uM	Infant (0-1 year old)	Not Specified	Normal	HMDB	18294893
Human Blood	Detected and Quantified	0.0572	0.0193			uM	Adolescent (13-18 years old)	Female	Normal	HMDB	17349090
Human Blood	Detected and Quantified	0.0581	0.0176			uM	Adolescent (13-18 years old)	Male	Normal	HMDB	17349090
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0654	0.0173			uM	Infant (0-1 year old)	Not Specified	Normal	HMDB	18294893
Human Blood	Detected and Quantified	0.205	0.193			uM	Adult (>18 years old)	Male	Normal	HMDB	21346713
Human Blood	Detected and Quantified	0.056	0.042			uM	Newborn (0-30 days old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	0.061	0.052			uM	Children (1-13 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	0.068	0.015			uM	Adult (>18 years old)	Female	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	0.075	0.022			uM	Adult (>18 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Erythrocyte	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0001491

DrugBank ID

DB00114

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

18405

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Akopov MA, Kagan ZS, Berezov TT, Filiptsev PIa: [Kinetics and thermodynamics of heat inactivation of L-threonine-L-serine dehydratase from human liver]. Biokhimiia. 1978 Nov;43(11):2027-32. [PubMed:737218 ]
Longhi RC, Fleisher LD, Tallan HH, Gaull GE: Cystathionine beta-synthase deficiency: a qualitative abnormality of the deficient enzyme modified by vitamin B6 therapy. Pediatr Res. 1977 Feb;11(2):100-3. doi: 10.1203/00006450-197702000-00003. [PubMed:840498 ]
Seki T: Combination treatment of high-dose pyridoxal phosphate and low-dose ACTH in children with West syndrome and related disorders. Jpn J Psychiatry Neurol. 1990 Jun;44(2):219-37. doi: 10.1111/j.1440-1819.1990.tb01401.x. [PubMed:1701836 ]
Lacour B, Parry C, Drueke T, Touam M, Kreis H, Bailly M, Durand D: Pyridoxal 5'-phosphate deficiency in uremic undialyzed, hemodialyzed, and non-uremic kidney transplant patients. Clin Chim Acta. 1983 Jan 24;127(2):205-15. doi: 10.1016/s0009-8981(83)80005-9. [PubMed:6337752 ]
Schuster K, Bailey LB, Cerda JJ, Gregory JF 3rd: Urinary 4-pyridoxic acid excretion in 24-hour versus random urine samples as a measurement of vitamin B6 status in humans. Am J Clin Nutr. 1984 Mar;39(3):466-70. doi: 10.1093/ajcn/39.3.466. [PubMed:6695847 ]
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Showing metabocard for Pyridoxal 5'-phosphate (MMDBc0029660)

MOL for #<Metabolite:0x00007fdb07646998>

3D MOL for #<Metabolite:0x00007fdb07646998>

3D SDF for #<Metabolite:0x00007fdb07646998>

3D-SDF for #<Metabolite:0x00007fdb07646998>

PDB for #<Metabolite:0x00007fdb07646998>

3D PDB for #<Metabolite:0x00007fdb07646998>

SMILES for #<Metabolite:0x00007fdb07646998>

INCHI for #<Metabolite:0x00007fdb07646998>

Structure for #<Metabolite:0x00007fdb07646998>

3D Structure for #<Metabolite:0x00007fdb07646998>