MiMeDB: Showing metabocard for tetrahydrosulfopterin (MMDBc0056331)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:22:59 UTC

Update Date

2022-08-12 20:09:41 UTC

Metabolite ID

MMDBc0056331

Metabolite Identification

Common Name

tetrahydrosulfopterin

Description

(2R,3S,4S)-5-(4-{[(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)pentane-1,2,3,4-tetrol belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. Based on a literature review very few articles have been published on (2R,3S,4S)-5-(4-{[(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)pentane-1,2,3,4-tetrol.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222222D          

 33 35  0  0  1  0            999 V2000
   -5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.0026   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    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
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 15 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21  7  1  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  2  0  0  0  0
 24 18  1  0  0  0  0
 25  8  1  0  0  0  0
 12 26  1  1  0  0  0
 13 27  1  1  0  0  0
 15 28  1  6  0  0  0
 29 17  1  0  0  0  0
 30 11  1  0  0  0  0
 12 31  1  1  0  0  0
 13 32  1  1  0  0  0
 15 33  1  6  0  0  0
M  END


  Mrv1652306172222222D          

 33 35  0  0  1  0            999 V2000
   -5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.0026   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    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
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 15 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21  7  1  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  2  0  0  0  0
 24 18  1  0  0  0  0
 25  8  1  0  0  0  0
 12 26  1  1  0  0  0
 13 27  1  1  0  0  0
 15 28  1  6  0  0  0
 29 17  1  0  0  0  0
 30 11  1  0  0  0  0
 12 31  1  1  0  0  0
 13 32  1  1  0  0  0
 15 33  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0056331

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)CC1=CC=C(NCC2([H])CNC3=C(N2)C(O)=NC(=N)N3)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H26N6O5/c19-18-23-16-14(17(29)24-18)22-11(7-21-16)6-20-10-3-1-9(2-4-10)5-12(26)15(28)13(27)8-25/h1-4,11-13,15,20,22,25-28H,5-8H2,(H4,19,21,23,24,29)/t11?,12-,13+,15-/m0/s1

> <INCHI_KEY>
NAKPFGZQINPHPR-FLTXBFBQSA-N

> <FORMULA>
C18H26N6O5

> <MOLECULAR_WEIGHT>
406.443

> <EXACT_MASS>
406.196467961

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
42.34844585577624

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S)-5-(4-{[(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)pentane-1,2,3,4-tetrol

> <JCHEM_LOGP>
-2.0247247593333326

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.944546167189799

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.950088933844523

> <JCHEM_PKA_STRONGEST_BASIC>
5.789217606394916

> <JCHEM_POLAR_SURFACE_AREA>
185.48

> <JCHEM_REFRACTIVITY>
126.51549999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S)-5-(4-{[(4-hydroxy-2-imino-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl]amino}phenyl)pentane-1,2,3,4-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0      -9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -10.669  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -12.003  -6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -14.670  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -16.004  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -18.672  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -18.672  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -20.005  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -21.339  -3.080   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0     -22.673  -2.310   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0     -13.337  -4.620   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0     -17.338  -2.310   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0     -17.338  -5.390   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0     -20.005  -2.310   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0     -21.339  -4.620   0.000  0.00  0.00           N+0
HETATM   25  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0     -20.005  -6.930   0.000  0.00  0.00           O+0
HETATM   30  H   UNK     0     -16.004  -6.160   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0      -6.668  -8.470   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0      -4.001  -8.470   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      -5.335  -6.160   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    9   12                                                       
CONECT    6   11   20                                                       
CONECT    7   11   21                                                       
CONECT    8   13   25                                                       
CONECT    9    1    2    5                                                  
CONECT   10    3    4   20                                                  
CONECT   11    6    7   22   30                                             
CONECT   12    5   15   26   31                                             
CONECT   13    8   15   27   32                                             
CONECT   14   16   17   22                                                  
CONECT   15   12   13   28   33                                             
CONECT   16   14   21   23                                                  
CONECT   17   14   24   29                                                  
CONECT   18   19   23   24                                                  
CONECT   19   18                                                            
CONECT   20    6   10                                                       
CONECT   21    7   16                                                       
CONECT   22   11   14                                                       
CONECT   23   16   18                                                       
CONECT   24   17   18                                                       
CONECT   25    8                                                            
CONECT   26   12                                                            
CONECT   27   13                                                            
CONECT   28   15                                                            
CONECT   29   17                                                            
CONECT   30   11                                                            
CONECT   31   12                                                            
CONECT   32   13                                                            
CONECT   33   15                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

Synonyms

Not Available

Molecular Formula

C₁₈H₂₆N₆O₅

Average Mass

406.443

Monoisotopic Mass

406.196467961

IUPAC Name

(2R,3S,4S)-5-(4-{[(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)pentane-1,2,3,4-tetrol

Traditional Name

(2R,3S,4S)-5-(4-{[(4-hydroxy-2-imino-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl]amino}phenyl)pentane-1,2,3,4-tetrol

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)CC1=CC=C(NCC2([H])CNC3=C(N2)C(O)=NC(=N)N3)C=C1

InChI Identifier

InChI=1S/C18H26N6O5/c19-18-23-16-14(17(29)24-18)22-11(7-21-16)6-20-10-3-1-9(2-4-10)5-12(26)15(28)13(27)8-25/h1-4,11-13,15,20,22,25-28H,5-8H2,(H4,19,21,23,24,29)/t11?,12-,13+,15-/m0/s1

InChI Key

NAKPFGZQINPHPR-FLTXBFBQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Pterins and derivatives

Alternative Parents

Substituents

Pterin
Phenylalkylamine
Aniline or substituted anilines
Hydroxypyrimidine
Secondary aliphatic/aromatic amine
Benzenoid
Pyrimidine
Monocyclic benzene moiety
Heteroaromatic compound
Secondary alcohol
Azacycle
Secondary amine
Polyol
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Amine
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-2	ChemAxon
pKa (Strongest Acidic)	7.95	ChemAxon
pKa (Strongest Basic)	5.79	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	185.48 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	126.52 m³·mol⁻¹	ChemAxon
Polarizability	42.35 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_5_190) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-10	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	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
Archaea	Crenarchaeota	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

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

134160390

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

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 tetrahydrosulfopterin (MMDBc0056331)

MOL for #<Metabolite:0x00007fece400da60>

3D MOL for #<Metabolite:0x00007fece400da60>

3D SDF for #<Metabolite:0x00007fece400da60>

3D-SDF for #<Metabolite:0x00007fece400da60>

PDB for #<Metabolite:0x00007fece400da60>

3D PDB for #<Metabolite:0x00007fece400da60>

SMILES for #<Metabolite:0x00007fece400da60>

INCHI for #<Metabolite:0x00007fece400da60>

Structure for #<Metabolite:0x00007fece400da60>

3D Structure for #<Metabolite:0x00007fece400da60>