MiMeDB: Showing metabocard for 7,8-dihydrofolate monoglutamate (MMDBc0047851)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 15:45:57 UTC

Update Date

2022-09-01 02:00:01 UTC

Metabolite ID

MMDBc0047851

Metabolite Identification

Common Name

7,8-dihydrofolate monoglutamate

Description

Structure

MOL SDF PDB SMILES InChI


  Mrv1652303082006212D          

 33 35  0  0  0  0            999 V2000
    0.3572   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6440   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7861   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  1  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 15 14  2  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22  8  1  0  0  0  0
 22 15  1  0  0  0  0
 23 11  2  0  0  0  0
 23 14  1  0  0  0  0
 12 24  1  1  0  0  0
 24 16  1  0  0  0  0
 25 15  1  0  0  0  0
 25 19  1  0  0  0  0
 26 17  2  0  0  0  0
 26 19  1  0  0  0  0
 27 13  2  0  0  0  0
 28 13  1  0  0  0  0
 29 16  2  0  0  0  0
 30 17  1  0  0  0  0
 31 18  2  0  0  0  0
 32 18  1  0  0  0  0
 12 33  1  1  0  0  0
M  CHG  2  28  -1  30  -1
M  END


  Mrv1652303082006212D          

 33 35  0  0  0  0            999 V2000
    0.3572   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6440   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7861   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  1  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 15 14  2  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22  8  1  0  0  0  0
 22 15  1  0  0  0  0
 23 11  2  0  0  0  0
 23 14  1  0  0  0  0
 12 24  1  1  0  0  0
 24 16  1  0  0  0  0
 25 15  1  0  0  0  0
 25 19  1  0  0  0  0
 26 17  2  0  0  0  0
 26 19  1  0  0  0  0
 27 13  2  0  0  0  0
 28 13  1  0  0  0  0
 29 16  2  0  0  0  0
 30 17  1  0  0  0  0
 31 18  2  0  0  0  0
 32 18  1  0  0  0  0
 12 33  1  1  0  0  0
M  CHG  2  28  -1  30  -1
M  END
> <DATABASE_ID>
MMDBc0047851

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](CCC([O-])=O)(NC(=O)C1=CC=C(NCC2=NC3=C(NC2)NC(=N)N=C3[O-])C=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/p-2/t12-/m0/s1

> <INCHI_KEY>
OZRNSSUDZOLUSN-LBPRGKRZSA-L

> <FORMULA>
C19H19N7O6

> <MOLECULAR_WEIGHT>
441.405

> <EXACT_MASS>
441.14077852

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
43.53361955412409

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S)-4-carboxy-4-[(4-{[(2-imino-4-oxido-1,2,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]butanoate

> <ALOGPS_LOGP>
0.10

> <JCHEM_LOGP>
-1.0253987239295532

> <ALOGPS_LOGS>
-3.64

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.160271168129295

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.397295196577076

> <JCHEM_PKA_STRONGEST_BASIC>
2.435705381579427

> <JCHEM_POLAR_SURFACE_AREA>
214.24999999999997

> <JCHEM_REFRACTIVITY>
153.39330000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.10e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4S)-4-carboxy-4-[(4-{[(2-imino-4-oxido-7,8-dihydro-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]butanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-MAR-20         0                                  
HETATM    1  C   UNK     0       0.667  -3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.667  -1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.001  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.667  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.002  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.335  -3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.334   0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.002   0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.667  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.001  -1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.668   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.668  -3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -8.669  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.002   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.335   3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.001  -3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.002   5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.668  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.669   5.390   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      10.003   6.160   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0       3.334  -0.770   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0       7.335   1.540   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0       4.668   3.080   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0      -3.334  -3.080   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0       8.669   3.850   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0       7.335   6.160   0.000  0.00  0.00           N+0
HETATM   27  O   UNK     0     -10.003  -3.850   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -8.669  -1.540   0.000  0.00  0.00           O-1
HETATM   29  O   UNK     0      -2.001  -5.390   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       4.668   6.160   0.000  0.00  0.00           O-1
HETATM   31  O   UNK     0      -3.334  -6.160   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -6.002  -6.160   0.000  0.00  0.00           O+0
HETATM   33  H   UNK     0      -6.002  -4.620   0.000  0.00  0.00           H+0
CONECT    1    3    9                                                       
CONECT    2    4    9                                                       
CONECT    3    1   10                                                       
CONECT    4    2   10                                                       
CONECT    5    6   12                                                       
CONECT    6    5   13                                                       
CONECT    7   11   21                                                       
CONECT    8   11   22                                                       
CONECT    9    1    2   16                                                  
CONECT   10    3    4   21                                                  
CONECT   11    7    8   23                                                  
CONECT   12    5   18   24   33                                             
CONECT   13    6   27   28                                                  
CONECT   14   15   17   23                                                  
CONECT   15   14   22   25                                                  
CONECT   16    9   24   29                                                  
CONECT   17   14   26   30                                                  
CONECT   18   12   31   32                                                  
CONECT   19   20   25   26                                                  
CONECT   20   19                                                            
CONECT   21    7   10                                                       
CONECT   22    8   15                                                       
CONECT   23   11   14                                                       
CONECT   24   12   16                                                       
CONECT   25   15   19                                                       
CONECT   26   17   19                                                       
CONECT   27   13                                                            
CONECT   28   13                                                            
CONECT   29   16                                                            
CONECT   30   17                                                            
CONECT   31   18                                                            
CONECT   32   18                                                            
CONECT   33   12                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

Synonyms

Value	Source
7,8-Dihydrofolate	ChEBI
Dihydrofolate dianion	ChEBI
7,8-Dihydrofolic acid	Generator
Dihydrofolic acid dianion	Generator
7,8-Dihydrofolic acid monoglutamic acid	Generator
Dihydrofolic acid(2-)	Generator
Dihydrofolate, (D)-isomer	MeSH
Dihydrofolate	MeSH

Molecular Formula

C₁₉H₁₉N₇O₆

Average Mass

441.405

Monoisotopic Mass

441.14077852

IUPAC Name

(4S)-4-carboxy-4-[(4-{[(2-imino-4-oxido-1,2,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]butanoate

Traditional Name

(4S)-4-carboxy-4-[(4-{[(2-imino-4-oxido-7,8-dihydro-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]butanoate

CAS Registry Number

Not Available

SMILES

[H][C@@](CCC([O-])=O)(NC(=O)C1=CC=C(NCC2=NC3=C(NC2)NC(=N)N=C3[O-])C=C1)C(O)=O

InChI Identifier

InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/p-2/t12-/m0/s1

InChI Key

OZRNSSUDZOLUSN-LBPRGKRZSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Tetrahydrofolic acids

Alternative Parents

Substituents

Tetrahydrofolic acid
Glutamic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Hippuric acid
Hippuric acid or derivatives
Alpha-amino acid or derivatives
Aminobenzamide
Aminobenzoic acid or derivatives
Benzamide
Benzoic acid or derivatives
Benzoyl
Aniline or substituted anilines
Phenylalkylamine
Aminopyrimidine
Secondary aliphatic/aromatic amine
Pyrimidone
Dicarboxylic acid or derivatives
Benzenoid
Pyrimidine
Monocyclic benzene moiety
Heteroaromatic compound
Vinylogous amide
Amino acid or derivatives
Secondary carboxylic acid amide
Amino acid
Carboxamide group
Secondary amine
Azacycle
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Primary amine
Organic anion
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

a tetrahydrofolate-glutamate (THF )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.11 g/L	ALOGPS
logP	0.1	ALOGPS
logP	-1	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	3.4	ChemAxon
pKa (Strongest Basic)	2.44	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	214.25 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	153.39 m³·mol⁻¹	ChemAxon
Polarizability	43.53 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 LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0000900000-a4c241fffe12ab7ef28a	2016-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00ke-0000900000-e2649a4064245971e04d	2016-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0f92-0322900000-85ce91e6ef3aba9bebc6	2016-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0000900000-4a414bcefb3680421e86	2016-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-2000900000-d371fff550aea75cc643	2016-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9100000000-f0cf9e2f8e9df68bdc25	2016-09-14	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	6	Human feces; Human saliva; Human supragingival plaque	Unknown
Viruses/Bamfordvirae	Nucleocytoviricota	2
Viruses/Heunggongvirae	Uroviricota	3
Eukaryota/Fungi	Microsporidia	1
Bacteria	Tenericutes	13	Human
Bacteria	Proteobacteria	243	Human ; Human feces; Cattle ; River trout ; Rat ; Sheep ; Pig ; Chicken ; Human feces; pleural fluid plaque; bal; Human stool
Eukaryota/Fungi	Basidiomycota	3	Human feces
Bacteria	Firmicutes	107	Human feces; Human ; Human supragingival plaque; Catfish ; Cattle ; Human subgingival plaque; Human saliva
Bacteria	Actinobacteria	31	Human ; Human feces; Cattle
Bacteria	Bacteroidetes	10	Human ; Human feces
Bacteria	Spirochaetes	1	Pig
Bacteria	Deinococcus-thermus	1
Viruses/Heunggongvirae	Peploviricota	8
Bacteria	Fusobacteria	1	Human ; Human feces
Archaea	Euryarchaeota	1
Bacteria	Planctomycetes	1
Bacteria	Thermotogae	1
Archaea/Archaea	Euryarchaeota	2

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

40480038

PDB ID

Not Available

ChEBI ID

57451

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

Showing metabocard for 7,8-dihydrofolate monoglutamate (MMDBc0047851)

MOL for #<Metabolite:0x00007fecb8051638>

3D MOL for #<Metabolite:0x00007fecb8051638>

3D SDF for #<Metabolite:0x00007fecb8051638>

3D-SDF for #<Metabolite:0x00007fecb8051638>

PDB for #<Metabolite:0x00007fecb8051638>

3D PDB for #<Metabolite:0x00007fecb8051638>

SMILES for #<Metabolite:0x00007fecb8051638>

INCHI for #<Metabolite:0x00007fecb8051638>

Structure for #<Metabolite:0x00007fecb8051638>

3D Structure for #<Metabolite:0x00007fecb8051638>